SCHEMBL29327433

SCHEMBL29327433

C[C@@H]1CNC[C@H](C)N1c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.43
HTR2C P28335 11/20 0.43
HTR2B P41595 11/20 0.43
KCNH2 Q12809 2/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
SLC6A4 P31645 2/20 0.40
MDM2 Q00987 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
SCHEMBL11958056 0.86 MDM2 (0.47) HTR2AHTR2CHTR2BKCNH2HTR3E
SCHEMBL11979897 0.86 MDM2 (0.47) HTR2AHTR2CHTR2BKCNH2HTR3E
SCHEMBL11979628 0.86 MDM2 (0.47) HTR2AHTR2CHTR2BKCNH2HTR3E
SCHEMBL26948157 0.82 HTR2A (0.50) HTR2AHTR2CHTR2BKCNH2ADRB1
SCHEMBL11958760 0.81 MDM2 (0.43) HTR2AHTR2CHTR2BKCNH2MDM2
SCHEMBL26938937 0.81 L3MBTL1 (0.45) HTR2AHTR2CHTR2BKCNH2
SCHEMBL30179232 0.80 HTR2A (0.43) HTR2AHTR2CHTR2BKCNH2
SCHEMBL21876550 0.80 HTR2A (0.43) HTR2AHTR2CHTR2BKCNH2
SCHEMBL20708219 0.80 CHRM2 (0.42) HTR2AHTR2CHTR2BKCNH2ADRB1
SCHEMBL29327276 0.80 HTR2C (0.41) HTR2AHTR2CHTR2BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF GUANGZHOU BAIYUNSHAN PHARMACEUTICAL HOLDINGS CO., LTD. BAIYUNSHAN PHARMACEUTICAL GENERAL FACTORY (CN) 2024-07-18 US 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-20240238281-A1 PIPERAZINE DERIVATIVES AND APPLICATION THEREOF AQP3, SLC6A7, ABCG2 HTR2A 774/4885HTR2C 491/4885HTR2B 1129/4885

“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.