SCHEMBL30396397

SCHEMBL30396397

NCCc1coc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.53
HTR2C P28335 2/20 0.53
HTR1A P08908 1/20 0.53
CA2 P00918 1/20 0.51
MAOB P27338 1/20 0.50
TAAR1 Q96RJ0 7/20 0.43
HTR2A P28223 2/20 0.43
MPO P05164 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2A6 P11509 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR1B P28222 1/20 0.43
HTR7 P34969 1/20 0.43
CTSK P43235 1/20 0.43
HTR6 P50406 1/20 0.43
CYP2A13 Q16696 1/20 0.43
PMP22 Q01453 1/20 0.42
CYP17A1 P05093 1/20 0.41

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
SCHEMBL140189 1.00 HTR1D (0.53) HTR1DHTR2CHTR1ACA2MAOB
Hydrochloric Acid SCHEMBL30297758 0.98 HTR1D (0.51) HTR1DHTR2CHTR1ACA2MAOB
Hydrochloric Acid SCHEMBL20542639 0.98 HTR1D (0.51) HTR1DHTR2CHTR1ACA2MAOB
SCHEMBL5237537 0.89 CA2 (0.49) HTR1DHTR2CHTR1ACA2MAOB
SCHEMBL5235143 0.87 CA2 (0.47) HTR1DHTR2CHTR1ACA2MAOB
SCHEMBL30824566 0.83 CA2 (0.54) CA2MAOBCYP2A6CYP17A1CYP19A1
SCHEMBL6795368 0.83 CA2 (0.54) CA2MAOBCYP2A6CYP17A1CYP19A1
Hydrochloric Acid SCHEMBL15818713 0.82 CA2 (0.53) CA2MAOBCYP1A2CYP3A4CYP2D6
SCHEMBL7360353 0.80 MAOB (0.50) HTR1ACA2MAOBCYP17A1CYP19A1
SCHEMBL734528 0.80 MAOB (0.50) HTR1ACA2MAOBCYP17A1CYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115720578-B And tricyclic derivatives, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2025-06-13 CN disclosed
WO-2025068602-A2 PRODUCTION AND MEDICAL USE OF PSILOCYBIN AND RELATED COMPOUNDS PSYLINK UAB (LT) 2025-04-03 WO disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
CN-116903563-A GPCR modulators and uses thereof 北京昌平实验室 2023-10-20 CN disclosed
CN-115720578-A Tricyclic derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-02-28 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 (1 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 HTR1D 3467/4885HTR2C 3757/4885HTR1A 3721/4885

“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.