SCHEMBL7213693

SCHEMBL7213693

CCC(Oc1nc(C)nc2c(-c3ccc(C)cc3C)noc12)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.38
CRHR1 P34998 3/20 0.35
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL7215955 0.91 SLC6A2 (0.35) FFAR2CRHR1PDE10A
SCHEMBL7220146 0.89 CRHR1 (0.32) CRHR1PDE10AMEN1NPC1RAB9A
SCHEMBL7220090 0.86 FFAR2 (0.38) FFAR2CRHR1
SCHEMBL7214520 0.86 CRHR1 (0.36) FFAR2CRHR1MEN1NPC1RAB9A
SCHEMBL7220935 0.84 CRHR1 (0.41) FFAR2CRHR1
SCHEMBL7219415 0.82 CRHR1 (0.36) CRHR1PDE10A
SCHEMBL7213736 0.82 CRHR1 (0.37) CRHR1MEN1NPC1RAB9AKMT2A
SCHEMBL7213694 0.79 CRHR1 (0.34) CRHR1
SCHEMBL7213696 0.78 NPC1 (0.35) CRHR1PDE10AMEN1NPC1RAB9A
SCHEMBL7220269 0.77 SLC6A2 (0.33) FFAR2CRHR1

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 FFAR2 459/4885CRHR1 1/4885PDE10A 1150/4885
US-20030114451-A1 Isoxazolo [4,5-d] pyrimidines as CRF antagonists CRHR1, P2RX5, P2RX1 FFAR2 459/4885CRHR1 1/4885PDE10A 1150/4885

“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.