SCHEMBL12322244

SCHEMBL12322244

CC1CCC(C(=O)N2CCOCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ HPGD P15428 2/20 0.59
▸ POLB P06746 2/20 0.59
▸ PKM P14618 1/20 0.58
▸ HTT P42858 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ RECQL P46063 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ MAPK1 P28482 1/20 0.50
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ CHRNB3 Q05901 1/20 0.47
▸ CHRNA6 Q15825 1/20 0.47

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
SCHEMBL12385793 1.00 TSHR (0.60) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL15200271 1.00 TSHR (0.60) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL11158442 0.90 TSHR (0.65) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL13841209 0.89 SMN1; SMN2 (0.53) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL10726764 0.86 ALDH1A1 (0.60) TSHRSMN1; SMN2HPGDHTTALDH1A1
SCHEMBL15431599 0.85 TSHR (0.51) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL12437066 0.85 SMN1; SMN2 (0.60) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL12513454 0.85 SMN1; SMN2 (0.60) TSHRSMN1; SMN2HPGDPOLBPKM
SCHEMBL24480430 0.84 HPGD (0.58) TSHRSMN1; SMN2HPGDHTTMEN1
SCHEMBL2952742 0.82 TSHR (0.57) TSHRSMN1; SMN2HPGDPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 — — US disclosed
US-11912708-B2 Macrocyclic heterocycles and uses thereof KUMQUAT BIOSCIENCES INC. (US) 2024-02-27 — — US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 — — US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 — — US disclosed
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-26 — — US disclosed
WO-2022081912-A2 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-04-21 — — WO disclosed
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-06-17 — — US disclosed
EP-3549934-A1 HETEROARYL COMPOUNDS AND USES THEREOF Celgene CAR LLC (BM) 2019-10-09 — — EP disclosed
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2018-07-03 — — US disclosed
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-04-13 — — US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 — — US disclosed
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 — — US disclosed
US-7989465-B2 4,6-disubstituted pyrimidines useful as kinase inhibitors AVILA THERAPEUTICS, INC. (US) 2011-08-02 — — US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 — — US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 — — US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 — — US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 — — US disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 — — 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 (11 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-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885SMN1; SMN2 2352/4885HPGD 1580/4885
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A TSHR 2647/4885SMN1; SMN2 3416/4885HPGD 312/4885
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TSHR 2808/4885SMN1; SMN2 2291/4885HPGD 4072/4885
US-11912708-B2 Macrocyclic heterocycles and uses thereof HRAS, KRAS, TP53 TSHR 2022/4885SMN1; SMN2 1539/4885HPGD 1824/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885SMN1; SMN2 2352/4885HPGD 1580/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885SMN1; SMN2 2352/4885HPGD 1580/4885
US-10010548-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK TSHR 3159/4885SMN1; SMN2 4194/4885HPGD 2962/4885
US-20110230494-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885SMN1; SMN2 2352/4885HPGD 1580/4885
US-20230339952-A1 MACROCYCLIC HETEROCYCLES AND USES THEREOF HRAS, KRAS, TP53 TSHR 2022/4885SMN1; SMN2 1539/4885HPGD 1824/4885
US-20170100397-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 TSHR 2837/4885SMN1; SMN2 2352/4885HPGD 1580/4885
US-20210177851-A1 NOVEL BENZYLAMINO SUBSTITUTED QUINAZOLINES AND DERIVATIVES AS SOS1 INHIBITORS SOS1, SOS2, SOST TSHR 2962/4885SMN1; SMN2 1069/4885HPGD 4214/4885

“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.

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