SCHEMBL3438951

SCHEMBL3438951

CC1(c2ccccc2)CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
OPRM1 P35372 2/20 0.44
CYP2D6 P10635 5/20 0.41
CYP3A4 P08684 3/20 0.41
USP2 O75604 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
SLC18A3 Q16572 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19122010 1.00 HTR2A (0.50) HTR2AOPRM1CYP2D6CYP3A4USP2
Hydrochloric Acid SCHEMBL8587704 0.98 HTR2A (0.48) HTR2AOPRM1CYP2D6CYP3A4USP2
SCHEMBL27225389 0.88 HTR2A (0.59) HTR2AOPRM1CYP2D6SLC6A4SLC6A2
SCHEMBL4331091 0.88 HTR2A (0.59) HTR2AOPRM1CYP2D6SLC6A4SLC6A2
SCHEMBL27099782 0.88 HTR2A (0.59) HTR2AOPRM1CYP2D6SLC6A4SLC6A2
SCHEMBL14704743 0.85 OPRM1 (0.53) HTR2AOPRM1CYP2D6CYP3A4USP2
SCHEMBL28097789 0.81 SLC6A3 (0.42) HTR2ACYP2D6SLC6A4SLC6A2SLC6A3
SCHEMBL21848158 0.81 SLC6A2 (0.42) HTR2ACYP2D6CYP3A4USP2ALDH1A1
SCHEMBL16488091 0.79 HTR2A (0.45) HTR2AOPRM1ALDH1A1SLC6A2SLC6A3
SCHEMBL24124002 0.79 SLC6A2 (0.40) HTR2ACYP2D6CYP3A4USP2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444062-A Quinazolines derivatives for enhancing antitumor activity PFIZER INC. (US) 1995-08-22 US claimed
EP-0556310-B1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER (US) 1995-07-05 EP claimed
EP-0556310-A1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY. PFIZER (US) 1993-08-25 EP claimed
WO-1992007844-A1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1992-05-14 WO claimed
EP-4146220-B1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC (US) 2026-02-18 EP disclosed
US-20250388574-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE AMGEN INC (US) 2025-12-25 US disclosed
US-12319691-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2025-06-03 US disclosed
US-12252489-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2025-03-18 US disclosed
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors INITIAL THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
WO-2024226875-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR ATTENUATION OF MAMMALIAN TRANSLATION OF C-MYC OR N-MYC PROTEINS OF THE MYC PROTO-ONCOGENE FAMILY OF BHLH TRANSCRIPTION FACTORS INITIAL THERAPEUTICS, INC. (US) 2024-10-31 WO disclosed
US-20240190863-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. 2024-06-13 US disclosed
US-20240124446-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. 2024-04-18 US disclosed
CN-1173921-A Methods for prodn. ef large catalogued chemical libraries PANLABS INC (US) 1998-02-18 CN disclosed
EP-0808303-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-11-26 EP disclosed
WO-1996024582-A1 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1996-08-15 WO disclosed
WO-1996002250-A1 HALOPERIDOL ANALOGS AND THE USE THEREOF ACEA PHARMACEUTICALS INC. (US) 1996-02-01 WO disclosed
US-5444062-A Quinazolines derivatives for enhancing antitumor activity PFIZER INC. (US) 1995-08-22 US disclosed
EP-0556310-B1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER (US) 1995-07-05 EP disclosed
EP-0556310-A1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY. PFIZER (US) 1993-08-25 EP disclosed
WO-1992007844-A1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1992-05-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12252489-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 HTR2A 408/4885OPRM1 605/4885CYP2D6 1500/4885
US-20240190863-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 HTR2A 408/4885OPRM1 605/4885CYP2D6 1500/4885
US-20240400555-A1 Compounds, Compositions and Methods for Attenuation of Mammalian Translation of C-MYC or N-MYC Proteins of the MYC Proto-Oncogene Family of BHLH Transcription Factors MYCBP, MYC, MYCBP2 HTR2A 4445/4885OPRM1 4085/4885CYP2D6 3964/4885
US-12319691-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 HTR2A 279/4885OPRM1 562/4885CYP2D6 1342/4885
US-20240124446-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 HTR2A 279/4885OPRM1 562/4885CYP2D6 1342/4885
US-20250388574-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE MSR1, FCER2, HAVCR2 HTR2A 569/4885OPRM1 245/4885CYP2D6 1399/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.