SCHEMBL6779043

SCHEMBL6779043

CCCN(CC1CC1)c1nc(C)[nH]c2c(-c3ccc(Cl)cc3Cl)nc(C)c1-2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 20/20 0.60
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR1H4 Q96RI1 1/20 0.46

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
SCHEMBL6778918 0.93 CRHR1 (0.55) CRHR1
SCHEMBL6776302 0.84 CRHR1 (0.45) CRHR1
SCHEMBL6777300 0.82 CRHR1 (0.52) CRHR1
SCHEMBL6778089 0.79 CRHR1 (0.55) CRHR1CYP3A4
Hydrochloric Acid SCHEMBL6783459 0.79 CRHR1 (0.54) CRHR1CYP3A4
SCHEMBL6075013 0.75 CRHR1 (1.00) CRHR1
SCHEMBL6779041 0.74 CRHR1 (0.55) CRHR1MEN1NR1I2GMNNLMNA
SCHEMBL6775223 0.73 CRHR1 (0.42) CRHR1
SCHEMBL5599675 0.68 CRHR1 (1.00) CRHR1
SCHEMBL7041005 0.68 HSD11B1 (0.45) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630476-B2 For therapy of anxiety, depression, and other psychiatric, neurological disorders, immunological, cardiovascular or heart-related diseases and colonic hypersensitivity associated with psychopathological disturbance and stress BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-07 US claimed
US-20020022632-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-21 US claimed
US-6734185-B2 Pyrrolo[3,4-d]pyrimidines as corticotropin releasing factor (CRF) antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-05-11 US disclosed
US-20030220333-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists BAKTHAVATCHALAM RAJAGOPAL (US) 2003-11-27 US disclosed
US-6630476-B2 For therapy of anxiety, depression, and other psychiatric, neurological disorders, immunological, cardiovascular or heart-related diseases and colonic hypersensitivity associated with psychopathological disturbance and stress BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-07 US disclosed
US-20020022632-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-21 US 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 (2 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-20020022632-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists CRH, CRHR1, CRHR2 CRHR1 2/4885MEN1 4018/4885NR1I2 751/4885
US-20030220333-A1 Pyrrolo [3,4-d] pyrimidines as corticotropin releasing factor (CRF) antagonists CRH, CRHR1, CRHR2 CRHR1 2/4885MEN1 4111/4885NR1I2 707/4885

“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.