SCHEMBL398772

SCHEMBL398772

CC(C)(C)OC(=O)N1CCCC1CBr

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ FPR3 P25089 1/20 0.43
▸ FPR2 P25090 1/20 0.43
▸ PDE8B O95263 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ATM Q13315 2/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ UCHL1 P09936 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGD P15428 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
SCHEMBL29739 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL539034 1.00 HSD17B10 (0.48) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL190190 0.95 PDE8B (0.47) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL31114914 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATMHPGD
SCHEMBL19950330 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATMHPGD
SCHEMBL19951601 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATMHPGD
SCHEMBL14934749 0.88 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL841886 0.88 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL33526612 0.88 HSD17B10 (0.46) HSD17B10SMN1; SMN2ALDH1A1FPR3FPR2
SCHEMBL47049 0.85 L3MBTL1 (0.58) HSD17B10SMN1; SMN2ALDH1A1PDE8BNPC1

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250206745-A1 PYRROLOPYRIDAZINE DERIVATIVES AND RELATED USES NODTHERA LTD (GB) 2025-06-26 — — US disclosed
US-12029739-B2 SHP2 inhibitor and use thereof KANAPH THERAPEUTICS INC. (KR) 2024-07-09 — — US disclosed
US-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF KANAPH THERAPEUTICS INC. (KR) 2024-06-13 — — US disclosed
EP-4368625-A1 SHP2 INHIBITOR AND USE THEREOF Kanaph Therapeutics Inc. (KR) 2024-05-15 — — EP disclosed
CN-117916242-A SHP2 inhibitors and uses thereof 治纳辅医药科技有限公司 2024-04-19 — — CN disclosed
WO-2023282702-A1 SHP2 INHIBITOR AND USE THEREOF 주식회사 카나프테라퓨틱스 2023-01-12 — — WO disclosed
CN-114213315-A Synthesis method of nitrogen-containing heterocyclic compound and intermediate thereof 上海陶术生物科技有限公司 2022-03-22 — — CN disclosed
CN-112533913-A Novel compounds 英夫拉索姆有限公司 2021-03-19 — — CN disclosed
EP-3788041-A1 NOVEL COMPOUNDS Inflazome Limited (IE) 2021-03-10 — — EP disclosed
WO-2020030925-A1 HETEROCYCLIC SUBSTITUTED UREAS, FOR USE AGAINST CANCER ARTIOS PHARMA LIMITED (GB) 2020-02-13 — — WO disclosed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 — — US disclosed
US-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 — — US disclosed
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 — — US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 — — EP disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 — — US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 — — EP disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 — — EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 — — WO disclosed
US-4902684-A Benzazepine and benzothiazepine derivatives E. R. SQUIBB & SONS, INC. (US) 1990-02-20 — — US disclosed
WO-1989012633-A1 BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES E.R. SQUIBB & SONS, INC. (US) 1989-12-28 — — WO 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 (3 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-20240189306-A1 SHP2 INHIBITOR AND USE THEREOF PTPN1, PTPN5, PTPN2 HSD17B10 2185/4885SMN1; SMN2 2643/4885ALDH1A1 3565/4885
US-20250206745-A1 PYRROLOPYRIDAZINE DERIVATIVES AND RELATED USES IL1B, NLRP3, NLRP1 HSD17B10 2579/4885SMN1; SMN2 4456/4885ALDH1A1 226/4885
US-12029739-B2 SHP2 inhibitor and use thereof PTPN1, PTPN5, PTPN2 HSD17B10 2185/4885SMN1; SMN2 2643/4885ALDH1A1 3565/4885

“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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