SCHEMBL1614049

SCHEMBL1614049

CCCCn1c(CCc2ccc(OCCc3ccc(OC)cc3)cc2)nc2ccc(OCCCN(CC)CC)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.46
DRD2 P14416 6/20 0.46
MAPT P10636 2/20 0.44
CNR2 P34972 3/20 0.44
MCHR1 Q99705 1/20 0.43
BRD4 O60885 2/20 0.41
CREBBP Q92793 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CNR1 P21554 1/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
MLNR O43193 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL1283407 0.96 DRD3 (0.46) DRD3DRD2MAPTCNR2MCHR1
SCHEMBL1282934 0.95 DRD3 (0.45) DRD3DRD2MAPTCNR2MCHR1
SCHEMBL1284146 0.95 DRD2 (0.45) DRD3DRD2MAPTCNR2MCHR1
SCHEMBL1283644 0.93 DRD2 (0.46) DRD3DRD2CNR2MCHR1BRD4
SCHEMBL1282449 0.93 DRD3 (0.50) DRD3DRD2MAPTBRD4CREBBP
SCHEMBL1283017 0.92 SMN1; SMN2 (0.47) DRD3DRD2MAPTCNR2BRD4
SCHEMBL3553157 0.91 DRD2 (0.45) DRD3DRD2CNR2MCHR1BRD4
SCHEMBL10282580 0.89 MCHR1 (0.47) DRD3DRD2MAPTCNR2MCHR1
SCHEMBL1615069 0.89 MAPT (0.50) MAPTCNR2BRD4CREBBPLMNA
SCHEMBL1283811 0.88 DRD3 (0.45) DRD3DRD2MAPTCNR2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 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 (4 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B DRD3 4032/4885DRD2 4530/4885MAPT 526/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B DRD3 4321/4885DRD2 4691/4885MAPT 430/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B DRD3 4321/4885DRD2 4691/4885MAPT 430/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B DRD3 4321/4885DRD2 4691/4885MAPT 430/4885

“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.