SCHEMBL7220802

SCHEMBL7220802

Cc1cc(C)c(-c2noc3c(NCCCCC4CC4)nc(C)nc23)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
CRHR1 P34998 3/20 0.32
ACHE P22303 2/20 0.32
BCHE P06276 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CHRNA7 P36544 1/20 0.31
HTR3A P46098 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7216049 0.97 MAPK1 (0.35) MAPK1CRHR1ACHEBCHEHRH4
SCHEMBL7220024 0.87 MAPK1 (0.35) MAPK1CRHR1ACHEBCHEHRH4
SCHEMBL7214399 0.86 CRHR1 (0.42) CRHR1ACHEALDH1A1
SCHEMBL7213699 0.84 MAPK1 (0.36) MAPK1CRHR1ACHEBCHEHRH4
SCHEMBL7220786 0.83 CRHR1 (0.36) CRHR1NPSR1
SCHEMBL7219612 0.80 CRHR1 (0.37) MAPK1CRHR1CYP2C9CYP2C19NPSR1
SCHEMBL7216177 0.80 CYP2C9 (0.33) CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL7213919 0.79 CRHR1 (0.49) CRHR1ALDH1A1
SCHEMBL7220093 0.79 CYP2C9 (0.34) CRHR1CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL7216123 0.79 CRHR1 (0.34) MAPK1CRHR1ALDH1A1

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
US-20030114451-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-19 US claimed
US-20020013461-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US claimed
US-6294671-B1 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES INCLUDING AFFECTIVE DISORDER, ANXIETY, DEPRESSION, HEADACHE, IRRITABLE BOWEL SYNDROME, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY, IMMUNE SUPPRESSION, ALZHEIMER'S DISEASE DUPONT PHARMACEUTICALS COMPANY 2001-09-25 US claimed
US-6589958-B1 Treatment of psychiatric disorders and neurological diseases including affective disorder, anxiety, stress disorder, supranuclear palsy, immune suppression, Alzheimer's disease, gastrointestinal diseases, anorexia BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-07-08 US disclosed
US-20030114451-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-19 US disclosed
US-20020013461-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-31 US disclosed
US-6294671-B1 FOR THERAPY OF PSYCHIATRIC DISORDERS AND NEUROLOGICAL DISEASES INCLUDING AFFECTIVE DISORDER, ANXIETY, DEPRESSION, HEADACHE, IRRITABLE BOWEL SYNDROME, POST-TRAUMATIC STRESS DISORDER, SUPRANUCLEAR PALSY, IMMUNE SUPPRESSION, ALZHEIMER'S DISEASE DUPONT PHARMACEUTICALS COMPANY 2001-09-25 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-20020013461-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists CRHR1, P2RX5, P2RX1 MAPK1 649/4885CRHR1 1/4885ACHE 4735/4885
US-20030114451-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists CRHR1, P2RX5, P2RX1 MAPK1 649/4885CRHR1 1/4885ACHE 4735/4885

“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.