SCHEMBL2996016

SCHEMBL2996016

CCOCCNCCc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HTR2A P28223 5/20 0.40
HTR2C P28335 1/20 0.40
IDO1 P14902 2/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL11024614 0.80 TAAR1 (0.66) TAAR1HTR2AHTR2CIDO1LMNA
SCHEMBL3008829 0.78 SIGMAR1 (0.59) TAAR1HTR2ALMNATSHRRECQL
SCHEMBL28645729 0.75 TAAR1 (0.64) TAAR1HTR2AHTR2CIDO1POLB
SCHEMBL3056754 0.72 TAAR1 (1.00) TAAR1HTTHTR2AIDO1LMNA
SCHEMBL9331124 0.72 TAAR1 (0.58) TAAR1IDO1LMNATSHRALDH1A1
SCHEMBL239490 0.71 ALDH1A1 (0.45) POLBTSHRKDM4ERECQLSMN1; SMN2
SCHEMBL3005665 0.70 MPO (0.64) TAAR1HTR2APOLBGAAKDM4E
SCHEMBL11894723 0.70 DRD4 (0.69) GAAKDM4ERECQLSMN1; SMN2
SCHEMBL9419149 0.70 IDO1 (0.59) TAAR1HPGDHTTIDO1LMNA
SCHEMBL30436408 0.69 TAAR1 (0.60) TAAR1HPGDIDO1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 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 (1 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-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 TAAR1 1133/4885HPGD 917/4885HTT 1491/4885

“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.