Sugi Predict

Sugi Predict / Compounds / SCHEMBL5791018

SCHEMBL5791018

SCHEMBL5791018

CCC(CC)Nc1cc(C)nc2c(-c3c(C)cc(Cl)cc3C)cnn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 9/20 0.60
▸ KMT2A Q03164 9/20 0.46
▸ NPC1 O15118 8/20 0.46
▸ RAB9A P51151 8/20 0.46
▸ MEN1 O00255 8/20 0.46
▸ KDM4E B2RXH2 7/20 0.43
▸ MAPT P10636 7/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 6/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 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
SCHEMBL5600174 0.92 CRHR1 (0.50) CRHR1KMT2ANPC1RAB9AMEN1
SCHEMBL5787866 0.89 CRHR1 (0.48) CRHR1KMT2ANPC1RAB9AMEN1
SCHEMBL5789649 0.80 CRHR1 (0.55) CRHR1
SCHEMBL5790928 0.76 MAPT (0.40) CRHR1KMT2ANPC1RAB9AMEN1
SCHEMBL5789091 0.72 CRHR1 (0.47) CRHR1
SCHEMBL5788500 0.71 CRHR1 (0.46) CRHR1
SCHEMBL5611176 0.71 CRHR1 (0.65) CRHR1
SCHEMBL5600192 0.70 CRHR1 (0.84) CRHR1
SCHEMBL5789240 0.70 CRHR1 (0.47) CRHR1
SCHEMBL5786298 0.70 MAPT (0.61) CRHR1KMT2ANPC1RAB9AMEN1

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 CRHR1 2433/4885KMT2A 1997/4885NPC1 1571/4885
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, CYP3A5 CRHR1 2304/4885KMT2A 1819/4885NPC1 980/4885
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 CRHR1 2026/4885KMT2A 2852/4885NPC1 762/4885

“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.