SCHEMBL3205958

SCHEMBL3205958

c1ccc2c(c1)ccn2CN1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.52
CCND1 P24385 4/20 0.52
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR6 P50406 4/20 0.42
SLC6A4 P31645 1/20 0.42
P2RX7 Q99572 1/20 0.42
PRMT5 O14744 1/20 0.42
RAD52 P43351 1/20 0.42

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
SCHEMBL30041985 1.00 CDK4 (0.52) CDK4CCND1KMT2ASIGMAR1HTR2A
SCHEMBL11012058 0.85 CDK4 (0.65) CDK4CCND1SIGMAR1HTR2AHTR2C
SCHEMBL4828100 0.84 CDK4 (0.57) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL7052509 0.84 CDK4 (0.57) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL4896448 0.83 CDK4 (0.55) CDK4CCND1KMT2AHTR2AHTR2C
SCHEMBL15578543 0.83 CDK4 (0.67) CDK4CCND1SIGMAR1HTR2AHTR2C
SCHEMBL3205345 0.80 CDK4 (0.56) CDK4CCND1SIGMAR1HTR2AHTR2C
SCHEMBL5944315 0.80 CDK4 (0.52) CDK4CCND1KMT2AHTR2AHTR2C
Hydrochloric Acid SCHEMBL28867138 0.79 CDK4 (0.55) CDK4CCND1SIGMAR1HTR2AHTR2C
Ammonia Solution, Strong SCHEMBL28783985 0.79 CDK4 (0.55) CDK4CCND1SIGMAR1HTR2AHTR2C

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-7781476-B2 Serotonin and melatonergic ligands such as 10-(4-Methylpiperazin-1-ylmethyl)-5-thia-4b-aza-indeno[2,1-a]indene-5,5-dioxide, used for the treatment of psychological disorders, side effect reduction of antipsychotic drugs, neurodegenerative disorders, chemotherapy-induced vomiting and eating disorders SUVEN LIFE SCIENCES LIMITED (IN) 2010-08-24 US disclosed
US-20100041669-A1 4-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2010-02-18 US disclosed
US-20070142398-A1 Tetracyclic 3-substituted indoles having serotonin receptor affinity SUVEN LIFE SCIENCES LIMITED (IN) 2007-06-21 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 (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-20070142398-A1 Tetracyclic 3-substituted indoles having serotonin receptor affinity HTR3A, HTR3C, HTR3B CDK4 2939/4885CCND1 3368/4885KMT2A 2039/4885
US-20100041669-A1 4-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR5A, HTR1A CDK4 1064/4885CCND1 1836/4885KMT2A 794/4885

“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.