SCHEMBL6493628

SCHEMBL6493628

c1ccc2ncc(Nc3cc4c5c(c3)[C@@H]3CNCC[C@@H]3N5CCOC4)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3CA P42336 17/20 0.37
IGF1R P08069 1/20 0.37
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL6491699 0.86 HTR2C (0.39) SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL6493979 0.82 HTR2C (0.36) PIK3CAHTR2AHTR2CHTR2B
SCHEMBL6784256 0.82 HTR2C (0.37) KDM4ESMN1; SMN2HSD17B10HTR2AHTR2C
SCHEMBL6499854 0.81 CHEK1 (0.37) HTR2AHTR2CHTR2B
SCHEMBL6783539 0.81 HTR2C (0.39) PIK3CAHTR2AHTR2CHTR2B
SCHEMBL6490790 0.81 HTR2C (0.36) HTR2AHTR2CHTR2B
SCHEMBL6783840 0.80 HTR2C (0.43) SMN1; SMN2PIK3CAHTR2AHTR2CHTR2B
SCHEMBL6501176 0.79 HTR2C (0.34) HTR2AHTR2CHTR2B
SCHEMBL6493032 0.79 HTR2C (0.33) HTR2AHTR2CHTR2B
SCHEMBL6789705 0.79 HTR2C (0.35) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US claimed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 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 (3 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 KDM4E 2300/4885NPC1 1661/4885SMN1; SMN2 1973/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 KDM4E 2300/4885NPC1 1661/4885SMN1; SMN2 1973/4885
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 KDM4E 1071/4885NPC1 45/4885SMN1; SMN2 4781/4885

“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.