SCHEMBL3774531

SCHEMBL3774531

Fc1cccc(C2=CCNCC2)c1F

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.56
CDK9 P50750 2/20 0.56
HTR2C P28335 9/20 0.53
SIGMAR1 Q99720 2/20 0.50
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
DRD2 P14416 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR1A P08908 1/20 0.45
DRD3 P35462 1/20 0.45
HTR6 P50406 1/20 0.45
QDPR P09417 1/20 0.43

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
Hydrochloric Acid SCHEMBL3690362 0.86 HTR2C (0.61) CCNT1CDK9HTR2CSIGMAR1KDM4E
SCHEMBL2269949 0.86 HTR2C (0.61) CCNT1CDK9HTR2CSIGMAR1KDM4E
Hydrochloric Acid SCHEMBL29882300 0.86 HTR2C (0.61) CCNT1CDK9HTR2CSIGMAR1KDM4E
SCHEMBL17234795 0.83 HTR2C (0.53) CCNT1CDK9HTR2CSIGMAR1KDM4E
SCHEMBL24727966 0.83 HTR2C (0.50) CCNT1CDK9HTR2CSIGMAR1KDM4E
SCHEMBL4698458 0.82 HTR2C (0.46) CCNT1CDK9HTR2CSIGMAR1KDM4E
SCHEMBL2783025 0.81 HTR2C (0.54) CCNT1CDK9HTR2CSIGMAR1KDM4E
SCHEMBL24158033 0.81 HTR2C (0.54) CCNT1CDK9HTR2CSIGMAR1KDM4E
SCHEMBL24196806 0.80 SIGMAR1 (0.55) CCNT1CDK9HTR2CSIGMAR1KDM4E
SCHEMBL31348189 0.80 CCNT1 (0.60) CCNT1CDK9HTR2CSIGMAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7994196-B2 Indazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 US disclosed
US-7851629-B2 Disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-12-14 US disclosed
EP-1768958-B1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
US-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-08-02 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1768958-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-04 EP disclosed
WO-2005121088-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 CCNT1 1007/4885CDK9 313/4885HTR2C 1793/4885
US-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION DRD2, DRD4, HTR4 CCNT1 2279/4885CDK9 1996/4885HTR2C 11/4885

“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.