SCHEMBL3205345

SCHEMBL3205345

CN1CCN(Cn2ccc3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.56
CCND1 P24385 4/20 0.56
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR6 P50406 4/20 0.49
P2RX7 Q99572 1/20 0.48
ABCB1 P08183 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR7 P34969 3/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46

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
Ammonia Solution, Strong SCHEMBL28783985 0.98 CDK4 (0.55) CDK4CCND1HTR2AHTR2CHTR6
Hydrochloric Acid SCHEMBL28867138 0.98 CDK4 (0.55) CDK4CCND1HTR2AHTR2CHTR6
Water SCHEMBL28867163 0.89 HTT (0.52) CDK4CCND1HTR2AHTR2CHTR6
Ethoxycarbonyl Group SCHEMBL27767556 0.85 CDK4 (0.42) CDK4CCND1HTR2AHTR2CHTR6
SCHEMBL7052509 0.84 CDK4 (0.57) CDK4CCND1HTR2AHTR2CHTR6
SCHEMBL4828100 0.84 CDK4 (0.57) CDK4CCND1HTR2AHTR2CHTR6
SCHEMBL4896448 0.83 CDK4 (0.55) CDK4CCND1HTR2AHTR2CHTR6
SCHEMBL5944315 0.80 CDK4 (0.52) CDK4CCND1HTR2AHTR2CHTR6
SCHEMBL30041985 0.80 CDK4 (0.52) CDK4CCND1HTR2AHTR2CHTR6
SCHEMBL3205958 0.80 CDK4 (0.52) CDK4CCND1HTR2AHTR2CHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109152751-A Pure 5-HT6Triple combination of receptor antagonist, acetylcholinesterase inhibitor and NMDA receptor antagonist 苏文生命科学有限公司 2019-01-04 CN claimed
CN-109069449-A Pure 5-HT6The combination of receptor antagonist and nmda receptor antagonist 苏文生命科学有限公司 2018-12-21 CN claimed
EP-2121602-B1 4-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL) INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-03-18 EP disclosed
CN-101563321-B 4- (heterocyclyl) alkyl-N- (arylsulfonyl) indole compounds and their use as 5-HT6Use of ligands SUVEN LIFE SCIENCES LTD 2012-05-30 CN disclosed
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
EP-2121602-A1 4-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL) INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS Suven Life Sciences Limited (IN) 2009-11-25 EP disclosed
CN-101563321-A 4- (heterocyclyl) alkyl-N- (arylsulfonyl) indole compounds and their use as 5-HT6Use of ligands SUVEN LIFE SCIENCES LTD (IN) 2009-10-21 CN disclosed
WO-2008084491-A1 4-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL) INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2008-07-17 WO 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 3368/4885HTR2A 8/4885
US-20100041669-A1 4-(HETEROCYCLYL)ALKYL-N-(ARYLSULFONYL)INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS HTR6, HTR5A, HTR1A CDK4 1064/4885CCND1 1836/4885HTR2A 6/4885

“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.