SCHEMBL7555458

SCHEMBL7555458

CCCN(CCC)c1ncnc2c1c1c(n2-c2c(C)cc(C)cc2C)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.34
FPR3 P25089 1/20 0.33
TSPO P30536 1/20 0.33
TMEM97 Q5BJF2 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
SCHEMBL7556757 0.86 CRHR1 (0.39) CRHR1TDP1LMNAFPR3TSPO
SCHEMBL7560082 0.84 CRHR1 (0.53) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7557332 0.81 CRHR1 (0.41) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7558601 0.78 CRHR1 (0.62) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7573155 0.78 CRHR1 (0.39) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7217519 0.78 CRHR1 (0.53) CRHR1TDP1
SCHEMBL7554926 0.77 CRHR1 (0.39) CRHR1TDP1LMNA
SCHEMBL7554709 0.77 CRHR1 (0.47) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7554234 0.73 CRHR1 (0.69) CRHR1TDP1
SCHEMBL7217860 0.72 CRHR1 (0.49) 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 2/4885TDP1 2969/4885LMNA 2702/4885

“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.