SCHEMBL7220816

SCHEMBL7220816

CCCCCOc1nc(C)nc2c(-c3c(C)cc(C)cc3C)noc12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.37
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL7214748 0.91 ALDH1A1 (0.36) CRHR1CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL7216177 0.85 CYP2C9 (0.33) CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL7214523 0.85 NPC1 (0.35) CRHR1FAAHMGLLCYP2C9CYP2C19
SCHEMBL7220093 0.84 CYP2C9 (0.34) CRHR1CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL7220814 0.80 CRHR1 (0.40) CRHR1CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL7214399 0.78 CRHR1 (0.42) CRHR1ALDH1A1
SCHEMBL7214751 0.77 CRHR1 (0.37) CRHR1CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL7219581 0.77 CRHR1 (0.45) CRHR1ALDH1A1
SCHEMBL7220090 0.75 FFAR2 (0.38) CRHR1CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL7214743 0.75 ALDH1A1 (0.33) CRHR1CYP2C9CYP2C19NPSR1ALDH1A1

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-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 claimed
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 CRHR1 1/4885FAAH 1019/4885MGLL 4784/4885
US-20030114451-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists CRHR1, P2RX5, P2RX1 CRHR1 1/4885FAAH 1019/4885MGLL 4784/4885

“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.