SCHEMBL2925707

SCHEMBL2925707

CC1(C)CNCc2ccc(F)cc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
KDM1A O60341 3/20 0.38
HTR2B P41595 1/20 0.35
WEE1 P30291 1/20 0.34
HTR5A P47898 2/20 0.34
SRD5A1 P18405 1/20 0.34
DPP4 P27487 1/20 0.33
PGR P06401 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
AKR1B1 P15121 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33

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 SCHEMBL2262579 0.98 HTR2A (0.42) HTR2AHTR2CKDM1AHTR2BWEE1
SCHEMBL28981462 0.82 HTR2C (0.39) HTR2AHTR2CKDM1AHTR2BDPP4
SCHEMBL25246576 0.79 KDM1A (0.39) HTR2AHTR2CKDM1AHTR5ASRD5A1
SCHEMBL30496380 0.78 KDM1A (0.41) HTR2AHTR2CKDM1AHTR5ASRD5A1
SCHEMBL25591142 0.78 PNMT (0.46) HTR2AHTR2CKDM1AHTR2B
SCHEMBL3178174 0.78 MRGPRX2 (0.46) HTR2AHTR2C
Hydrochloric Acid SCHEMBL30098020 0.76 PNMT (0.44) HTR2AHTR2CKDM1AHTR2B
Bromide SCHEMBL7682620 0.76 MRGPRX2 (0.45) HTR2AHTR2C
SCHEMBL2258910 0.76 CYP1A2 (0.40) HTR2AHTR2CHTR5APGRAKR1B1
SCHEMBL3177100 0.75 KCNH2 (0.43) HTR2AHTR2CHTR2BHTR5ACHRNB2

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
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2251338-A2 Organic compounds Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2225223-A2 ORGANIC COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
WO-2009065919-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 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 (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-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA HTR2A 426/4885HTR2C 546/4885KDM1A 4511/4885

“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.