SCHEMBL6297565

SCHEMBL6297565

CCCCN(CC)c1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 1.00
FPR3 P25089 2/20 0.61
TSPO P30536 2/20 0.61
TMEM97 Q5BJF2 2/20 0.61
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL6302106 0.93 CRHR1 (0.87) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL6301715 0.91 CRHR1 (0.82) CRHR1
SCHEMBL6295510 0.82 CRHR1 (0.69) CRHR1FPR3TSPOTMEM97
SCHEMBL5845873 0.81 CRHR1 (0.69) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL7965099 0.80 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1
Cp-154526 SCHEMBL5707848 0.76 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1
SCHEMBL8999349 0.76 CRHR1 (0.67) CRHR1FPR3TSPOTMEM97TDP1
Cp-154526 SCHEMBL29706373 0.76 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1
Cp-154526 SCHEMBL31012286 0.75 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1
Antalarmin SCHEMBL466243 0.75 CRHR1 (1.00) CRHR1FPR3TSPOTMEM97TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2433/4885FPR3 2071/4885TSPO 3742/4885
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, CYP3A5 CRHR1 2304/4885FPR3 2610/4885TSPO 3422/4885
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 CRHR1 2026/4885FPR3 2499/4885TSPO 4182/4885

“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.