SCHEMBL7554872

SCHEMBL7554872

Cc1cc(C)c(-n2c3c(c4c(NCCc5ccc(Cl)cc5)nc(C)nc42)CCCC3)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
HTT P42858 1/20 0.39
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL7553895 0.90 KMT2A (0.44) CRHR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7557861 0.89 KMT2A (0.43) CRHR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7076685 0.79 CRHR1 (0.46) CRHR1TP53
SCHEMBL7561708 0.78 CRHR1 (0.44) CRHR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7075873 0.77 CRHR1 (0.41) CRHR1
SCHEMBL7557828 0.75 CDK1 (0.40) CRHR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7076556 0.72 CRHR1 (0.41) CRHR1
SCHEMBL7560074 0.70 CRHR1 (0.53) CRHR1
SCHEMBL7071736 0.70 KDM4E (0.38) CRHR1
SCHEMBL7560082 0.68 CRHR1 (0.53) CRHR1

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-20020019406-A1 9H-pyrimido[4,5-b]indole derivatives: CRF1 specific ligands NEUROGEN CORPORATION 2002-02-14 US claimed
US-20020019406-A1 9H-pyrimido[4,5-b]indole derivatives: CRF1 specific ligands NEUROGEN CORPORATION 2002-02-14 US disclosed
US-6284766-B1 DIAGNOSIS, THERAPY OF STRESS DISORDERS NEUROGEN CORPORATION 2001-09-04 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-20020019406-A1 9H-pyrimido[4,5-b]indole derivatives: CRF1 specific ligands HTR1D, CRHR1, HTR1A CRHR1 2/4885MEN1 1722/4885KMT2A 3646/4885

“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.