SCHEMBL29327284

SCHEMBL29327284

C[C@@H]1CNC[C@H](C)N1c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.50
HTR2A P28223 7/20 0.50
HTR2B P41595 7/20 0.50
ALOX5 P09917 2/20 0.46
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
BPTF Q12830 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
SCHEMBL25144854 0.81 ADRB1 (0.50) HTR2CHTR2AHTR2BALOX5OPRM1
SCHEMBL25144905 0.81 ADRB1 (0.50) HTR2CHTR2AHTR2BALOX5OPRM1
Hydrochloric Acid SCHEMBL18043593 0.79 ADRB1 (0.49) HTR2CHTR2AHTR2BALOX5OPRM1
SCHEMBL7238013 0.79 OPRM1 (0.66) HTR2CHTR2AHTR2BALOX5OPRM1
SCHEMBL2463430 0.79 OPRM1 (0.66) HTR2CHTR2AHTR2BOPRM1MEN1
SCHEMBL19280231 0.79 ALOX5 (0.47) HTR2CHTR2AHTR2BALOX5OPRM1
SCHEMBL25144858 0.79 HTR2A (0.50) HTR2CHTR2AHTR2BALOX5OPRM1
SCHEMBL23777634 0.79 HTR2A (0.50) HTR2CHTR2AHTR2BALOX5OPRM1
SCHEMBL19996264 0.79 ALOX5 (0.47) HTR2CHTR2AHTR2BALOX5OPRM1
SCHEMBL29327276 0.78 HTR2C (0.41) HTR2CHTR2AHTR2B

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 HTR2C 491/4885HTR2A 774/4885HTR2B 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.