SCHEMBL5790928

SCHEMBL5790928

CCC(CC)Oc1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cnn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
RAB9A P51151 9/20 0.40
KDM4E B2RXH2 9/20 0.40
NPC1 O15118 8/20 0.40
KMT2A Q03164 7/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 6/20 0.40
HPGD P15428 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CRHR1 P34998 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
CTNNB1 P35222 1/20 0.36
L3MBTL1 Q9Y468 2/20 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
SCHEMBL5599408 0.92 CRHR1 (0.40) MAPTRAB9AKDM4ENPC1KMT2A
SCHEMBL5791329 0.89 CRHR1 (0.39) MAPTRAB9AKDM4ENPC1KMT2A
SCHEMBL5785419 0.81 CRHR1 (0.35) MAPTRAB9AKDM4ENPC1KMT2A
SCHEMBL27517037 0.80 MEN1 (0.41) MAPTRAB9AKDM4ENPC1KMT2A
SCHEMBL5787115 0.80 CRHR1 (0.36) KMT2AMEN1CRHR1
SCHEMBL5791018 0.76 CRHR1 (0.60) MAPTRAB9AKDM4ENPC1KMT2A
SCHEMBL5790778 0.72 CRHR1 (0.38) CRHR1
SCHEMBL5785875 0.71 CRHR1 (0.41) KMT2AMEN1CRHR1
SCHEMBL5599886 0.71 NPY1R (0.51) CRHR1TSHR
SCHEMBL5787088 0.70 CRHR1 (0.40) CRHR1

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
EP-0923582-B1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER (US) 2006-09-20 EP disclosed
US-6900217-B2 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC (US) 2005-05-31 US disclosed
US-20050009823-A1 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC 2005-01-13 US disclosed
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC. 2002-10-17 US disclosed
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CHEN YUHPYNG L (US) 2001-07-12 US disclosed
EP-0923582-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-23 EP disclosed
WO-1998008847-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 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 (3 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-20050009823-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, ABCG2 MAPT 2866/4885RAB9A 949/4885KDM4E 895/4885
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, CYP3A5 MAPT 2284/4885RAB9A 428/4885KDM4E 541/4885
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 MAPT 3698/4885RAB9A 406/4885KDM4E 836/4885

“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.