SCHEMBL6796943

SCHEMBL6796943

CCC(CC)Nc1cc(C)nc(Oc2ccc(Br)cc2OC)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.42
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 4/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 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
SCHEMBL6798214 0.88 SLC6A4 (0.43) CRHR1TSHRPOLBMAPK1KMT2A
SCHEMBL6799437 0.84 TSHR (0.42) CRHR1LMNATSHRALDH1A1KDM4E
SCHEMBL6805019 0.84 MAPT (0.40) CRHR1LMNATSHRPOLBMAPK1
SCHEMBL6797182 0.83 MAPK1 (0.43) CRHR1LMNATSHRPOLBMAPK1
SCHEMBL6793471 0.81 CRHR1 (0.59) CRHR1LMNACYP1A2CYP2C19SMN1; SMN2
SCHEMBL6798584 0.80 MGAM (0.42) CRHR1LMNATSHRKMT2AALDH1A1
SCHEMBL6797556 0.80 CRHR1 (0.40) CRHR1POLBSMN1; SMN2KDM4EHPGD
SCHEMBL6793891 0.79 CRHR1 (0.40) CRHR1POLBCYP1A2CYP2C19CYP3A4
SCHEMBL6797859 0.78 CRHR1 (0.58) CRHR1LMNATSHRPOLBMAPK1
SCHEMBL5844580 0.76 CRHR1 (0.72) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US claimed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP claimed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US claimed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 WO claimed
US-6833378-B2 Pyridines, pyrimidines, purinones, pyrrolopyrimidinones and pyrrolopyridinones; useful in the treatment disorders including CNS and stress-related disorders. PFIZER INC 2004-12-21 US disclosed
EP-1263732-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS Pfizer Products Inc. (US) 2002-12-11 EP disclosed
US-20020016328-A1 Corticotropin releasing factor antagonists PFIZER INC. 2002-02-07 US disclosed
WO-2001053263-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2001-07-26 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 (1 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-20020016328-A1 Corticotropin releasing factor antagonists CRH, CRHR2, CRHR1 CRHR1 3/4885LMNA 4189/4885TSHR 90/4885

“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.