SCHEMBL15445286

SCHEMBL15445286

CC(C)N1CCCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
AVPR1A P37288 8/20 0.43
AVPR2 P30518 7/20 0.41
OXTR P30559 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL24721143 0.98 NPSR1 (0.45) NOTUMALDH1A1NPSR1TSHRMEN1
SCHEMBL24721029 0.98 NPSR1 (0.45) NOTUMALDH1A1NPSR1TSHRMEN1
SCHEMBL24721104 0.98 NPSR1 (0.45) NOTUMALDH1A1NPSR1TSHRMEN1
SCHEMBL255037 0.94 NOTUM (0.50) NOTUMALDH1A1NPSR1TSHRMEN1
SCHEMBL1102007 0.86 ALDH1A1 (0.48) NOTUMALDH1A1NPSR1TSHRMEN1
SCHEMBL24721488 0.82 ALDH1A1 (0.45) NOTUMALDH1A1NPSR1TSHRMEN1
SCHEMBL24721395 0.82 ALDH1A1 (0.45) NOTUMALDH1A1NPSR1TSHRMEN1
SCHEMBL9668715 0.80 NOTUM (0.47) NOTUMALDH1A1NPSR1TSHRMEN1
SCHEMBL21677078 0.80 NOTUM (0.47) NOTUMALDH1A1NPSR1TSHRMEN1
SCHEMBL21095412 0.80 NPSR1 (0.49) NOTUMALDH1A1NPSR1TSHRMEN1

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-4186896-A1 SHP2 INHIBITOR AND COMPOSITION AND APPLICATION THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-05-31 EP disclosed
US-20230150978-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO PHARMA (FR) 2023-05-18 US disclosed
US-20230150978-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER ENYO PHARMA (FR) 2023-05-18 US disclosed
US-20230060004-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-02-23 US disclosed
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
US-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS FLORIDA A&M UNIVERSITY 2018-07-12 US disclosed
US-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS FLORIDA A&M UNIVERSITY 2018-07-12 US disclosed
US-9051333-B2 6,7-dihydroimidazo [2,1-b] [1,3]oxazine bactericides OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-09 US disclosed
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 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-20230150978-A1 QUINAZOLINONE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER NQO2, NQO1, NDUFV2 NOTUM 3788/4885ALDH1A1 139/4885NPSR1 2766/4885
US-20230060004-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK NOTUM 1485/4885ALDH1A1 3992/4885NPSR1 3964/4885
US-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK NOTUM 2202/4885ALDH1A1 4095/4885NPSR1 4250/4885
US-20180193330-A1 ALKYLATED TETRAHYDROISOQUINOLINES FOR BINDING TO CENTRAL NERVOUS SYSTEM RECEPTORS NTSR2, HTR3B, NTSR1 NOTUM 2663/4885ALDH1A1 3561/4885NPSR1 9/4885
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES BRD1, OXA1L, QDPR NOTUM 3195/4885ALDH1A1 109/4885NPSR1 1824/4885

“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.