SCHEMBL7963679

SCHEMBL7963679

CC(=O)c1cnn2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
SSTR4 P31391 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MGLL Q99685 1/20 0.39
NLRP3 Q96P20 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
POLQ O75417 1/20 0.37
NTRK1 P04629 1/20 0.37
CDK9 P50750 10/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CCNT1 O60563 3/20 0.36

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
SCHEMBL16814051 0.95 NTRK1 (0.40) HTR2AHTR2CSSTR4POLBSMN1; SMN2
SCHEMBL1812696 0.84 HTR2A (0.44) HTR2AHTR2CSSTR4POLBMGLL
SCHEMBL25172258 0.83 HTR2A (0.43) HTR2AHTR2CSSTR4MGLLNLRP3
SCHEMBL20223637 0.82 HTR2A (0.43) HTR2AHTR2CSSTR4MGLLNLRP3
SCHEMBL22480042 0.82 HTR2A (0.43) HTR2AHTR2CSSTR4MGLLNLRP3
SCHEMBL8317125 0.80 HTR2A (0.37) HTR2AHTR2CSSTR4MGLLNLRP3
SCHEMBL5122932 0.79 CYP11B1 (0.40) HTR2AHTR2CSSTR4POLBMGLL
SCHEMBL5124999 0.77 CYP11B1 (0.39) HTR2AHTR2CSSTR4POLBMGLL
SCHEMBL16794181 0.77 DRD3 (0.52) HTR2AHTR2CSSTR4POLBSMN1; SMN2
SCHEMBL7959150 0.76 HTR2A (0.40) HTR2AHTR2CSSTR4MGLLNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014173-A1 Antibacterial Compounds JANSSEN SCIENCES IRELAND UC (IE) 2023-01-19 US disclosed
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP 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-20230014173-A1 Antibacterial Compounds FDPS, SQOR, NDUFS3 HTR2A 4812/4885HTR2C 4787/4885SSTR4 3794/4885

“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.