SCHEMBL9329211

SCHEMBL9329211

COc1ccc2[nH]cc(CCCCO)c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.81
SLC6A4 P31645 1/20 0.69
HTR1A P08908 6/20 0.68
HTR2A P28223 4/20 0.68
CYP1A2 P05177 3/20 0.68
HTR1D P28221 2/20 0.68
HTR1B P28222 2/20 0.68
HTR2C P28335 2/20 0.68
HTR7 P34969 2/20 0.68
HTR6 P50406 2/20 0.68
HTR4 Q13639 2/20 0.68
MAPT P10636 1/20 0.68
TSHR P16473 1/20 0.68
NFKB1 P19838 1/20 0.68
TRPM8 Q7Z2W7 1/20 0.68
BLM P54132 2/20 0.66
PMP22 Q01453 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
GPR84 Q9NQS5 1/20 0.66
MTNR1A P48039 4/20 0.64

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
SCHEMBL5350306 0.99 CYP2D6 (0.79) CYP2D6SLC6A4HTR1AHTR2ACYP1A2
SCHEMBL5368511 0.99 CYP2D6 (0.79) CYP2D6SLC6A4HTR1AHTR2ACYP1A2
SCHEMBL5360884 0.99 CYP2D6 (0.79) CYP2D6SLC6A4HTR1AHTR2ACYP1A2
SCHEMBL5362738 0.99 CYP2D6 (0.79) CYP2D6SLC6A4HTR1AHTR2ACYP1A2
SCHEMBL5363947 0.99 CYP2D6 (0.79) CYP2D6SLC6A4HTR1AHTR2ACYP1A2
SCHEMBL8306922 0.96 CYP2D6 (0.83) CYP2D6SLC6A4HTR1AHTR2ACYP1A2
SCHEMBL29375720 0.90 CYP2D6 (1.00) CYP2D6SLC6A4HTR1AHTR2ACYP1A2
SCHEMBL676574 0.90 CYP2D6 (1.00) CYP2D6SLC6A4HTR1AHTR2ACYP1A2
SCHEMBL5356766 0.87 HTR2A (0.66) CYP2D6SLC6A4HTR1AHTR2ACYP1A2
SCHEMBL5350304 0.87 HTR2A (0.66) CYP2D6SLC6A4HTR1AHTR2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027607-B1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-08-26 EP disclosed
US-9598401-B2 Substituted heteroaryl compounds and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-21 US disclosed
EP-3027607-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2016-06-08 EP disclosed
US-20160083370-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-24 US disclosed
WO-2015169180-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-12 WO disclosed
WO-2015014256-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-02-05 WO disclosed
EP-0407844-B1 Indole derivatives MERCK PATENT GMBH (DE) 1994-04-06 EP disclosed
US-5106850-A INDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-04-21 US disclosed
EP-0407844-A1 Indole derivatives MERCK PATENT GmbH (DE) 1991-01-16 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 (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-20160083370-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HTR3B, HTR3A, HTR2C CYP2D6 180/4885SLC6A4 19/4885HTR1A 4/4885

“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.