SCHEMBL4169809

SCHEMBL4169809

Cc1ccccc1C1CCC[N]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
HTR2C P28335 4/20 0.43
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
KDM1A O60341 2/20 0.34
PBRM1 Q86U86 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
TSHR P16473 1/20 0.33
ACHE P22303 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
SCHEMBL1828071 0.94 TAAR1 (0.44) TAAR1HTR2CDDB1CRBNHTR2A
SCHEMBL3162963 0.78 NOS3 (0.37) ALDH1A1
SCHEMBL3168135 0.78 HTR2C (0.33) TAAR1HTR2C
SCHEMBL1849372 0.77 TAAR1 (0.45) TAAR1HTR2CHTR2AHTR2BALDH1A1
SCHEMBL8006764 0.77 KMT2A (0.44) HTR2CHTR2AHTR2BALDH1A1
SCHEMBL3163224 0.77 KDM1A (0.46) HTR2CHTR2BMAOAMAOBKDM1A
SCHEMBL3165666 0.77 HTR2C (0.47) HTR2CHTR2AHTR2BTSHR
SCHEMBL2201865 0.77 HTR6 (0.33) ALDH1A1TSHR
SCHEMBL4718842 0.74 KDM1A (0.49) ALDH1A1KDM1A
SCHEMBL290575 0.74 TAAR1 (0.42) TAAR1HTR2CDDB1CRBNHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 US disclosed
US-20180305360-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2018-10-25 US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 US disclosed
EP-3250209-A1 COMT INHIBITING METHODS AND COMPOSITIONS Lieber Institute For Brain Development (US) 2017-12-06 EP disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 US disclosed
WO-2016123576-A1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2016-08-04 WO disclosed
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 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 (5 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-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA TAAR1 1180/4885HTR2C 147/4885DDB1 2930/4885
US-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 TAAR1 103/4885HTR2C 1015/4885DDB1 1229/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA TAAR1 1180/4885HTR2C 147/4885DDB1 2930/4885
US-20180305360-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA TAAR1 1180/4885HTR2C 147/4885DDB1 2930/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA TAAR1 1180/4885HTR2C 147/4885DDB1 2930/4885

“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.