SCHEMBL168309

SCHEMBL168309

NCCc1ccc(I)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.56
HTR2A P28223 4/20 0.56
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
SLC6A2 P23975 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR3A P46098 1/20 0.56
BACE1 P56817 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LOXL2 Q9Y4K0 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAOB P27338 2/20 0.48
CA12 O43570 1/20 0.48

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
SCHEMBL224548 0.85 TAAR1 (0.72) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL5966793 0.84 MAOA (0.50) TAAR1HTR2ACYP2A6CYP1A2CYP3A4
SCHEMBL6049447 0.83 TAAR1 (0.42) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL30180481 0.82 MAOA (0.60) HTR2AMAOBCYP3A4IDO1
Hydrochloric Acid SCHEMBL3168355 0.82 BLM (0.74) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL6510298 0.82 CYP3A4 (0.50) CYP1A2CYP3A4IDO1
SCHEMBL2355588 0.82 CYP3A4 (0.50) CYP1A2CYP3A4IDO1
Hydrochloric Acid SCHEMBL3668004 0.82 BLM (0.74) TAAR1HTR2ACYP2A6CYP1A2KDM4E
Iodide SCHEMBL29101247 0.82 TAAR1 (0.68) TAAR1HTR2ACYP2A6CYP1A2KDM4E
SCHEMBL9850657 0.80 MAOA (0.58) HTR2ACYP3A4IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117801815-B Chiral quasi two-dimensional perovskite film capable of emitting circularly polarized light and preparation method thereof 天津大学 2024-08-09 CN claimed
CN-117801815-A Chiral quasi two-dimensional perovskite film capable of emitting circularly polarized light and preparation method thereof 天津大学 2024-04-02 CN claimed
CN-121735989-B Method for catalyzing hydroboration reaction of nitrile compound WEIFANG UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-117801815-B Chiral quasi two-dimensional perovskite film capable of emitting circularly polarized light and preparation method thereof 天津大学 2024-08-09 CN disclosed
US-20240252535-A1 CELLULAR COMPOSITION FOR TREATMENT OF DISEASES, DISORDERS OR CONDITIONS AND METHOD OF USE YZTHERAPEUTIC PERFORMANCE LTD. (IL) 2024-08-01 US disclosed
US-20240140971-A1 PSMA TARGETED RADIOHALOGENATED UREAS FOR CANCER RADIOTHERAPY THE JOHNS HOPKINS UNIVERSTY 2024-05-02 US disclosed
CN-117801815-A Chiral quasi two-dimensional perovskite film capable of emitting circularly polarized light and preparation method thereof 天津大学 2024-04-02 CN disclosed
WO-2023150899-A1 CONJUGATES OF CHEMOTHERAPY AGENTS AND TISSUE-BINDING SMALL MOLECULES, COMPOSITIONS AND METHODS THEREOF CANWELL BIOTECH LIMITED (CN) 2023-08-17 WO disclosed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-11465989-B2 Guanidine compounds and use thereof ImmunoMet Therapeutics, Inc. (US) 2022-10-11 US disclosed
WO-1995004072-A1 PEPTOID ALPHA-1 ADRENERGIC RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-02-09 WO disclosed
WO-1994006451-A1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORPORATION (US) 1994-03-31 WO disclosed
US-5296483-A Antidepressant UNIVERSITY OF FLORIDA (US) 1994-03-22 US disclosed
US-5082853-A Drug delivery BODOR NICHOLAS S (US) 1992-01-21 US disclosed
US-4933438-A Brain-specific analogues of centrally acting amines UNIVERSITY OF FLORIDA (US) 1990-06-12 US disclosed
EP-0174342-B1 BRAIN-SPECIFIC ANALOGUES OF CENTRALLY ACTING AMINES UNIVERSITY OF FLORIDA (US) 1989-12-20 EP disclosed
US-4771059-A CENTRAL NERVOUS SYSTEM UNIVERSITY OF FLORIDA (US) 1988-09-13 US disclosed
EP-0174342-A1 BRAIN-SPECIFIC ANALOGUES OF CENTRALLY ACTING AMINES. UNIV FLORIDA (US) 1986-03-19 EP disclosed
WO-1985003937-A1 BRAIN-SPECIFIC ANALOGUES OF CENTRALLY ACTING AMINES UNIVERSITY OF FLORIDA (US) 1985-09-12 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 (2 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-11465989-B2 Guanidine compounds and use thereof PC, TFAM, PCK2 TAAR1 4576/4885HTR2A 3793/4885CYP2A6 2890/4885
US-20240140971-A1 PSMA TARGETED RADIOHALOGENATED UREAS FOR CANCER RADIOTHERAPY PSMA3, PSMA6, PSMA7 TAAR1 1397/4885HTR2A 4550/4885CYP2A6 3025/4885

“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.