SCHEMBL6737416

SCHEMBL6737416

CCCC(c1nnc(-c2ccc(C(F)(F)F)cc2Cl)c2nc(CC)[nH]c12)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.37
PDE2A O00408 2/20 0.34
NR1I2 O75469 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
IDO1 P14902 1/20 0.33
CYP2C19 P33261 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32
CTSS P25774 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
SCHEMBL6733062 0.93 NR1I2 (0.37) CRHR1PDE2ANR1I2CYP1A2CYP3A4
SCHEMBL6740480 0.88 CRHR1 (0.42) CRHR1
SCHEMBL6737606 0.85 CRHR1 (0.37) CRHR1
SCHEMBL6739991 0.81 CRHR1 (0.38) CRHR1PDE2ANR1I2CYP1A2CYP3A4
SCHEMBL6741004 0.80 CRHR1 (0.44) CRHR1
SCHEMBL6737512 0.77 CRHR1 (0.40) CRHR1
SCHEMBL6741013 0.75 NR1I2 (0.39) CRHR1PDE2ANR1I2CYP1A2CYP3A4
SCHEMBL6739303 0.69 CRHR1 (0.44) CRHR1
SCHEMBL6740017 0.69 CRHR1 (0.40) CRHR1TMEM97
SCHEMBL6737412 0.68

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023965-A1 Imidazo-triazines as corticotropin releasing factor antagonists GILLIGAN PAUL JOSEPH (US) 2004-02-05 US disclosed
US-6579876-B2 Imidazo(4,5-d)pyridazines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-17 US disclosed
US-20030055059-A1 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 GILLIGAN PAUL JOSEPH (US) 2003-03-20 US disclosed
US-6521636-B1 Treatment of psychiatric disorders and neurological diseases BRISTOL-MYERS SQUIBB COMPANY 2003-02-18 US disclosed
US-6365589-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 BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-02 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-20040023965-A1 Imidazo-triazines as corticotropin releasing factor antagonists CRH, CRHR1, CRHR2 CRHR1 2/4885PDE2A 967/4885NR1I2 145/4885
US-20030055059-A1 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 CRH, PCNP, CRHR1 CRHR1 3/4885PDE2A 2618/4885NR1I2 155/4885

“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.