SCHEMBL2798864

SCHEMBL2798864

Cc1cc(N2CCNCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.56
▸ NCF1 P14598 1/20 0.56
▸ PLD1 Q13393 1/20 0.56
▸ ADRB1 P08588 7/20 0.56
▸ HRH4 Q9H3N8 3/20 0.55
▸ CHEK1 O14757 2/20 0.49
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ HTR7 P34969 3/20 0.48
▸ HTR1A P08908 2/20 0.48
▸ HTR3E A5X5Y0 1/20 0.46
▸ HTR3B O95264 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ HTR2C P28335 1/20 0.46

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
Hydrochloric Acid SCHEMBL5633395 0.98 ADRB2 (0.55) ADRB2NCF1PLD1ADRB1HRH4
SCHEMBL21186191 0.87 HRH4 (0.50) HRH4
Tert-Butyl Formate SCHEMBL27875884 0.85 HRH4 (0.43) ADRB2NCF1PLD1ADRB1HRH4
SCHEMBL425041 0.83 HRH4 (0.56) HRH4
SCHEMBL15445062 0.83 ADRB2 (0.62) ADRB2NCF1PLD1ADRB1HRH4
SCHEMBL30533237 0.83 ADRB1 (0.43) ADRB2NCF1PLD1ADRB1HRH4
SCHEMBL9455784 0.81 HRH4 (0.58) HRH4HTT
Water SCHEMBL28114608 0.81 HRH4 (0.54) HRH4
SCHEMBL13027974 0.80 HRH4 (0.61) HRH4HTTHTR3A
SCHEMBL13131256 0.79 SLC6A2 (0.44) TP53CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11820774-B2 Modulators of the sigma-2 receptor and their method of use Temple University—Of the Commonwealth System of Higher Education (US) 2023-11-21 — — US disclosed
US-20210363145-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2021-11-25 — — US disclosed
WO-2021123291-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 — — WO disclosed
US-10961249-B2 Modulators of the sigma-2 receptor and their method of use TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-03-30 — — US disclosed
EP-3423436-B1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 — — EP disclosed
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-04 — — US disclosed
US-20200039985-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2020-02-06 — — US disclosed
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-07-02 — — US disclosed
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 — — US disclosed
EP-3261638-B1 PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE INC (US) 2019-05-08 — — EP disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 — — EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 — — EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 — — WO disclosed
EP-0233051-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1993-09-15 — — EP disclosed
US-4806536-A Piperazinyl-substituted pyridine and imidazole anti-arrhythmic agents PFIZER, INC. (US) 1989-02-21 — — US disclosed
US-4788196-A Phenyl piperazine anti-arrhythmia agents PFIZER INC. (US) 1988-11-29 — — US disclosed
EP-0244115-A2 Phenyl-piperazine anti-arrhythmia agents Pfizer Limited (GB) 1987-11-04 — — EP disclosed
CN-87102873-A Phenylpiperazine anti-dysrhythmia agents and preparation method thereof — 1987-10-28 — — CN disclosed
EP-0233051-A2 Antiarrhythmic Agents Pfizer Limited (GB) 1987-08-19 — — EP disclosed
CN-87100652-A ANTI-DYSRHYTHMIA AGENTS — 1987-08-19 — — CN 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 (7 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-10961249-B2 Modulators of the sigma-2 receptor and their method of use SIGMAR1, TMEM97, OPRM1 ADRB2 7/4885NCF1 4069/4885PLD1 1049/4885
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 ADRB2 218/4885NCF1 2349/4885PLD1 2971/4885
US-20200039985-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 ADRB2 8/4885NCF1 3621/4885PLD1 1236/4885
US-20210363145-A1 NOVEL MODULATORS OF THE SIGMA-2 RECEPTOR AND THEIR METHOD OF USE SIGMAR1, TMEM97, OPRL1 ADRB2 8/4885NCF1 3621/4885PLD1 1236/4885
US-10336729-B2 4-cyano-benzyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, AOC2, CBR3 ADRB2 3141/4885NCF1 436/4885PLD1 3949/4885
US-11820774-B2 Modulators of the sigma-2 receptor and their method of use SIGMAR1, TMEM97, OPRM1 ADRB2 7/4885NCF1 4069/4885PLD1 1049/4885
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, XDH, CYP3A43 ADRB2 2895/4885NCF1 381/4885PLD1 1921/4885

“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.

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