SCHEMBL7076685

SCHEMBL7076685

Cc1cc(C)c(-n2c3c(c4c(NCC5CC5)nc(C)nc42)CCCC3)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.46
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL7071347 0.84 CRHR1 (0.36) CRHR1KDM4E
SCHEMBL6801197 0.82 CRHR1 (0.67) CRHR1KDM4ETDP1
SCHEMBL7560074 0.82 CRHR1 (0.53) CRHR1
SCHEMBL7561708 0.81 CRHR1 (0.44) CRHR1TP53
SCHEMBL7553895 0.81 KMT2A (0.44) CRHR1
SCHEMBL7554872 0.79 CRHR1 (0.47) CRHR1TP53
SCHEMBL7557048 0.79 CRHR1 (0.52) CRHR1KDM4E
SCHEMBL7621313 0.77 CRHR1 (0.47) CRHR1KDM4ETP53
SCHEMBL7076556 0.76 CRHR1 (0.41) CRHR1TDP1
SCHEMBL7075873 0.76 CRHR1 (0.41) CRHR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030105117-A1 Aminoalkyl substituted 5,6,7,8-tetrahydro-9H-pyridino[2,3-b]indole and 5,6,7,8-tetrahydro-9H-pyrimidino[4,5-b]indole derivatives: CRF1 specific ligands NEUROGEN CORPORATION 2003-06-05 US disclosed
US-6472402-B1 Aminoalkyl substituted 5,6,7,8-Tetrahydro-9H-Pyridino [2,3-B]indole derivatives NEUROGEN CORPORATION 2002-10-29 US disclosed
US-6291473-B1 TREATING ANXIETY, DEPRESSION, POST-TRAUMATIC STRESS DISORDER, INFLAMMATORY DISEASES, OBESITY, IN MAMMALS NEUROGEN CORPORATION 2001-09-18 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 (1 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-20030105117-A1 Aminoalkyl substituted 5,6,7,8-tetrahydro-9H-pyridino[2,3-b]indole and 5,6,7,8-tetrahydro-9H-pyrimidino[4,5-b]indole derivatives: CRF1 specific ligands GPR119, CRHR1, IRS1 CRHR1 2/4885KDM4E 3601/4885TDP1 1698/4885

“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.