SCHEMBL8442802

SCHEMBL8442802

CCNCCc1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
TAAR1 Q96RJ0 4/20 0.63
LMNA P02545 2/20 0.56
HPGD P15428 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49
CYP3A4 P08684 1/20 0.47
TRPV6 Q9H1D0 1/20 0.46
MPO P05164 1/20 0.46

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
SCHEMBL4662627 0.88 TAAR1 (0.53) L3MBTL1TAAR1LMNAHPGDALDH1A1
SCHEMBL7931494 0.85 L3MBTL1 (0.65) L3MBTL1TAAR1LMNAHPGDCYP1A2
SCHEMBL13533648 0.80 CA12 (0.50) L3MBTL1TAAR1CYP1A2ALDH1A1CA12
SCHEMBL17922520 0.80 TAAR1 (0.59) L3MBTL1TAAR1LMNAHPGDCYP1A2
SCHEMBL12342243 0.79 TAAR1 (0.59) L3MBTL1TAAR1LMNACYP1A2CYP2D6
SCHEMBL371244 0.79 TAAR1 (0.56) L3MBTL1TAAR1LMNAHPGDALDH1A1
SCHEMBL17068942 0.79 TAAR1 (0.56) L3MBTL1TAAR1LMNAHPGDALDH1A1
SCHEMBL5224472 0.78 TAAR1 (0.57) L3MBTL1TAAR1LMNAHPGDCYP1A2
SCHEMBL3120845 0.78 TMEM97 (0.63) LMNACYP2D6KDM4EALDH1A1CA1
SCHEMBL12500537 0.78 KDM4E (0.69) L3MBTL1TAAR1CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2023-02-09 US disclosed
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-06 US disclosed
US-10991966-B1 Doped polymer electrolytes and methods of making and using the same TRIAD NATIONAL SECURITY, LLC (US) 2021-04-27 US disclosed
US-10622657-B1 Proton exchange membrane fuel cells TRIAD NATIONAL SECURITY, LLC (US) 2020-04-14 US disclosed
WO-2019043642-A1 NOVEL THIOPHENE COMPOUNDS, PROCESS FOR SYNTHESIS AND USE THEREOF AHAMMUNE BIOSCIENCES PRIVATE LIMITED (IN) 2019-03-07 WO disclosed
US-20160083375-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-03-24 US disclosed
US-9242975-B2 Heterocyclic-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-9242976-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-26 US disclosed
US-8987311-B2 Triazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-03-24 US disclosed
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-01-08 US disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
WO-2012008435-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 大日本住友製薬株式会社 (JP) 2012-01-19 WO disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
US-7329658-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC (US) 2008-02-12 US disclosed
US-7176210-B2 Cannabinoid receptor ligands and uses thereof PFIZER INC. (US) 2007-02-13 US disclosed
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-08-12 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 (9 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-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM L3MBTL1 1154/4885TAAR1 4864/4885LMNA 1332/4885
US-20040157839-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 L3MBTL1 3865/4885TAAR1 97/4885LMNA 3222/4885
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC2R, NR3C2, REN L3MBTL1 3290/4885TAAR1 356/4885LMNA 2633/4885
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK2 L3MBTL1 1642/4885TAAR1 926/4885LMNA 1480/4885
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 L3MBTL1 4785/4885TAAR1 1638/4885LMNA 4066/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 L3MBTL1 4242/4885TAAR1 4523/4885LMNA 3414/4885
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF TGFBR2, ASGR1, TGFBR1 L3MBTL1 2257/4885TAAR1 578/4885LMNA 2736/4885
US-20160083375-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 L3MBTL1 944/4885TAAR1 1308/4885LMNA 1458/4885
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF SIGMAR1, TMEM97, OPRM1 L3MBTL1 3560/4885TAAR1 32/4885LMNA 4760/4885

“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.