SCHEMBL3907335

SCHEMBL3907335

NCC(c1ccccc1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
IDO1 P14902 3/20 0.50
TAAR1 Q96RJ0 3/20 0.46
HTR2A P28223 2/20 0.46
HRH1 P35367 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MITF O75030 1/20 0.41
FFAR1 O14842 1/20 0.41
EPHX1 P07099 1/20 0.40

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
SCHEMBL2085660 0.98 MEN1 (0.58) MEN1KMT2APKMCTDSP1IDO1
Hydrochloric Acid SCHEMBL30982202 0.96 MEN1 (0.56) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL1734494 0.96 MEN1 (0.51) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL20241553 0.92 TAAR1 (0.50) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL5694848 0.92 TAAR1 (0.50) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL17892160 0.89 FFAR1 (0.55) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL17906499 0.88 FFAR1 (0.54) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL17906492 0.88 FFAR1 (0.54) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL17906496 0.85 FFAR1 (0.55) MEN1KMT2APKMCTDSP1IDO1
SCHEMBL12278622 0.83 TAAR1 (0.42) MEN1KMT2APKMCTDSP1IDO1

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
CN-107207476-B Indole and azaindole derivatives and their use in neurodegenerative diseases 默克专利有限公司 2021-03-19 CN disclosed
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2020-06-09 US disclosed
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases MERCK PATENT GMBH (DE) 2019-06-18 US disclosed
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2019-05-30 US disclosed
EP-2766352-B1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK UHN (CA) 2018-06-06 EP disclosed
EP-3233841-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES Merck Patent GmbH (DE) 2017-10-25 EP disclosed
CN-107207476-A Indoles and 7-azaindole derivatives and its for the purposes in neurodegenerative disorders 默克专利有限公司 2017-09-26 CN disclosed
US-9580390-B2 Indazole compounds as kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2017-02-28 US disclosed
WO-2016100281-A1 INDOLE AND AZAINDOLES DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-23 WO disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-12-18 US disclosed
EP-2766352-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (UHN) (CA) 2014-08-20 EP disclosed
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERISTY HEALTH NETWORKS (CA) 2014-02-20 US disclosed
WO-2013053051-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2013-04-18 WO disclosed
EP-2018364-A1 THERAPEUTIC FLUOROETHYL UREAS Allergan, Inc. (US) 2009-01-28 EP disclosed
WO-2007137029-A1 THERAPEUTIC FLUOROETHYL UREAS ALLERGAN, INC. (US) 2007-11-29 WO disclosed
CN-1514831-A Medicinal composition containing 1,3-thiazine derivative ��Ұ����ҩ��ʽ���� 2004-07-21 CN disclosed
CN-1387519-A 2-imino-1, 3-thiazine derivatives SHIONOGI & CO (JP) 2002-12-25 CN disclosed
WO-1996019446-A1 β-CARBOXY SULFONAMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 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 (6 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 MEN1 4446/4885KMT2A 2988/4885PKM 1812/4885
US-10323000-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 MEN1 4055/4885KMT2A 2560/4885PKM 1411/4885
US-20190161447-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 MEN1 4446/4885KMT2A 2988/4885PKM 1812/4885
US-20140371202-A1 INDAZOLE COMPOUNDS AS KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME PLK4, PLK2, PLK3 MEN1 2669/4885KMT2A 1936/4885PKM 467/4885
US-20140051679-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 MEN1 1067/4885KMT2A 579/4885PKM 334/4885
US-10676433-B2 Indole derivatives and their use in neurodegenerative diseases P2RX3, ADORA2A, P2RX7 MEN1 4055/4885KMT2A 2560/4885PKM 1411/4885

“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.