SCHEMBL14907356

SCHEMBL14907356

CCCNCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.72
KDM4E B2RXH2 3/20 0.72
CYP2D6 P10635 3/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
MPO P05164 4/20 0.71
HTR1D P28221 4/20 0.67
NPSR1 Q6W5P4 3/20 0.65
SPR P35270 3/20 0.65
ALDH1A1 P00352 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
MAPT P10636 2/20 0.65
IDO1 P14902 1/20 0.65
HPGD P15428 1/20 0.65
BLM P54132 1/20 0.65
NOTUM Q6P988 1/20 0.65
LMNA P02545 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
TRPV1 Q8NER1 2/20 0.61

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
SCHEMBL22953701 0.92 MPO (0.72) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL453066 0.91 TRPV1 (0.67) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL15920450 0.90 HTR2C (0.74) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL25076884 0.89 TRPV1 (0.69) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL23633204 0.89 TRPV1 (0.69) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL25076883 0.89 TRPV1 (0.69) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL23633206 0.89 TRPV1 (0.69) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL25076891 0.89 TRPV1 (0.69) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL14907374 0.89 TRPV1 (0.69) HTR2CKDM4ECYP2D6MEN1KMT2A
SCHEMBL23630278 0.89 TRPV1 (0.69) HTR2CKDM4ECYP2D6MEN1KMT2A

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-20240335418-A1 SAFER PSYCHOACTIVE COMPOSITIONS ARCADIA MEDICINE, INC. 2024-10-10 US disclosed
WO-2024008341-A1 SEROTONIN ANALOGUES FOR USE IN TREATING METALLOPTOSIS-ASSOCIATED DISORDERS INSTITUT CURIE (FR) 2024-01-11 WO disclosed
WO-2023021112-A1 NOVEL SEROTONIN DERIVATIVES AND THEIR USES FOR TREATING IRON-ASSOCIATED DISORDERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2023-02-23 WO disclosed
US-20150306077-A1 Novel Compositions and Methods for Treating Cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-10-29 US disclosed
US-9073851-B2 Compositions and methods for treating cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-07-07 US disclosed
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
WO-2013063492-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-02 WO 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-20150306077-A1 Novel Compositions and Methods for Treating Cancer HDGF, HCCS, CCNC HTR2C 380/4885KDM4E 2945/4885CYP2D6 4819/4885
US-20130129812-A1 NOVEL COMPOSITIONS AND METHODS FOR TREATING CANCER HDGF, HCCS, CCNC HTR2C 380/4885KDM4E 2945/4885CYP2D6 4819/4885
US-20240335418-A1 SAFER PSYCHOACTIVE COMPOSITIONS HTR6, HTR4, CNR1 HTR2C 11/4885KDM4E 3854/4885CYP2D6 1025/4885

“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.