Sugi Predict

Sugi Predict / Compounds / SCHEMBL5787738

SCHEMBL5787738

SCHEMBL5787738

CCNCCCc1cc(C)nc2c(-c3c(C)cc(C)cc3C)cnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 2/20 0.41
▸ NPY1R P25929 3/20 0.36
▸ MEN1 O00255 12/20 0.36
▸ KMT2A Q03164 12/20 0.36
▸ KDM4E B2RXH2 8/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 9/20 0.34
▸ NPC1 O15118 8/20 0.34
▸ MAPT P10636 7/20 0.34
▸ SMN1; SMN2 Q16637 6/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ HPGD P15428 5/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ TP53 P04637 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ MITF O75030 1/20 0.32

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
SCHEMBL5788541 0.74 CRHR1 (0.58) CRHR1MAPK1LMNACYP1A2
SCHEMBL5786510 0.72 CRHR1 (0.64) CRHR1
SCHEMBL5786298 0.72 MAPT (0.61) CRHR1MEN1KMT2AKDM4EPKM
SCHEMBL5600174 0.71 CRHR1 (0.50) CRHR1NPY1RMEN1KMT2AKDM4E
SCHEMBL5787736 0.71 CRHR1 (0.66) CRHR1
SCHEMBL5599408 0.69 CRHR1 (0.40) CRHR1MEN1KMT2AKDM4EPKM
SCHEMBL5787742 0.67 CRHR1 (0.39) CRHR1NPY1RMEN1KMT2AKDM4E
SCHEMBL5788445 0.67 NPY1R (0.35) CRHR1NPY1R
SCHEMBL5786582 0.67 NPY1R (0.55) CRHR1NPY1RHPGDNPSR1
SCHEMBL11608837 0.67 GSK3B (0.44) CRHR1MEN1KMT2AKDM4ERAB9A

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 2433/4885NPY1R 1244/4885MEN1 2368/4885
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, CYP3A5 CRHR1 2304/4885NPY1R 1588/4885MEN1 1939/4885
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 CRHR1 2026/4885NPY1R 1486/4885MEN1 1504/4885

“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.