SCHEMBL3106323

SCHEMBL3106323

CCCCN1CCNCC1CC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
GNAO1 P09471 5/20 0.33
GNAI3 P08754 4/20 0.33
GNAI1 P63096 4/20 0.33
GBA2 Q9HCG7 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MITF O75030 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL24533119 0.96 TAAR1 (0.44) TAAR1GNAO1GNAI3GNAI1GBA2
SCHEMBL3106189 0.95 TAAR1 (0.45) TAAR1GNAO1GNAI3GNAI1GBA2
SCHEMBL28180032 0.93 TAAR1 (0.44) TAAR1GNAO1GNAI3GNAI1GBA2
SCHEMBL3106291 0.93 TAAR1 (0.44) TAAR1GNAO1GNAI3GNAI1GBA2
SCHEMBL3110597 0.90 TAAR1 (0.43) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28058920 0.89 TAAR1 (0.42) TAAR1GNAO1GNAI3GNAI1CYP2D6
Hydrochloric Acid SCHEMBL28058916 0.89 TAAR1 (0.42) TAAR1GNAO1GNAI3GNAI1CYP2D6
SCHEMBL7018057 0.87 TAAR1 (0.58) TAAR1GNAO1GNAI3GNAI1GBA2
Pyridine SCHEMBL28145680 0.87 TAAR1 (0.44) TAAR1CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9801301 0.86 TAAR1 (0.39) TAAR1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170218018-A1 CYCLIN BASED INHIBITORS OF CDK2 AND CDK4 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 US disclosed
EP-2204394-B1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS TOSOH CORP (JP) 2017-07-12 EP disclosed
US-8980965-B2 Method for producing polyester type flexible polyurethane foam, and catalyst composition to be used therefor TOSOH CORPORATION (JP) 2015-03-17 US disclosed
US-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR TOSOH CORPORATION (JP) 2010-10-07 US disclosed
EP-2204394-A1 PROCESS FOR PRODUCTION OF POLYESTER-CONTAINING FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION FOR USE IN THE PROCESS Tosoh Corporation (JP) 2010-07-07 EP 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-20170218018-A1 CYCLIN BASED INHIBITORS OF CDK2 AND CDK4 CDK4, CDK2, CDK8 TAAR1 4286/4885GNAO1 2295/4885GNAI3 917/4885
US-20100256249-A1 METHOD FOR PRODUCING POLYESTER TYPE FLEXIBLE POLYURETHANE FOAM, AND CATALYST COMPOSITION TO BE USED THEREFOR OR51E2, CYP4F11, FFAR3 TAAR1 448/4885GNAO1 2915/4885GNAI3 3947/4885

“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.