Sugi Predict

Sugi Predict / Compounds / SCHEMBL5791329

SCHEMBL5791329

SCHEMBL5791329

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.39
▸ MEN1 O00255 8/20 0.39
▸ KMT2A Q03164 8/20 0.39
▸ MAPT P10636 7/20 0.37
▸ RAB9A P51151 6/20 0.37
▸ NPC1 O15118 5/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ POLB P06746 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ STAT1 P42224 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
SCHEMBL5599408 0.91 CRHR1 (0.40) CRHR1MEN1KMT2AMAPTRAB9A
SCHEMBL5790928 0.89 MAPT (0.40) CRHR1MEN1KMT2AMAPTRAB9A
SCHEMBL27517037 0.84 MEN1 (0.41) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL5787866 0.77 CRHR1 (0.48) CRHR1MEN1KMT2AMAPTRAB9A
SCHEMBL5790778 0.71 CRHR1 (0.38) CRHR1
SCHEMBL5785419 0.71 CRHR1 (0.35) CRHR1MEN1KMT2AMAPTRAB9A
SCHEMBL5785875 0.70 CRHR1 (0.41) CRHR1MEN1KMT2A
SCHEMBL5599886 0.70 NPY1R (0.51) CRHR1TSHR
SCHEMBL5787115 0.69 CRHR1 (0.36) CRHR1MEN1KMT2A
SCHEMBL5787088 0.69 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 CRHR1 2433/4885MEN1 2368/4885KMT2A 1997/4885
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, CYP3A5 CRHR1 2304/4885MEN1 1939/4885KMT2A 1819/4885
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 CRHR1 2026/4885MEN1 1504/4885KMT2A 2852/4885

“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.