SCHEMBL86956

SCHEMBL86956

Cc1ccc2cc(C)sc2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CYP1A2 P05177 3/20 0.40
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
IKBKB O14920 1/20 0.36
LIMK1 P53667 1/20 0.36
NPC1 O15118 2/20 0.35
MAPT P10636 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
METAP2 P50579 1/20 0.32

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
SCHEMBL8353361 0.78 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL8268355 0.78 ALDH1A1 (0.36) KDM4EALDH1A1
SCHEMBL8268446 0.78 CCR1 (0.39) RAB9ACCR1CCR5CYP1A2KDM4E
SCHEMBL8268403 0.78 MEN1 (0.34) RAB9AKDM4EALDH1A1POLBNPC1
SCHEMBL8353367 0.78 RAB9A (0.39) RAB9ACCR1CCR5CYP1A2KDM4E
SCHEMBL24445010 0.78 CCR1 (0.39) RAB9ACCR1CCR5CYP1A2KDM4E
SCHEMBL31204615 0.78 KDM4E (0.42) RAB9ACCR1CCR5CYP1A2KDM4E
SCHEMBL8284898 0.75 KMT2A (0.40) RAB9ACYP1A2KDM4EALDH1A1POLB
SCHEMBL30521546 0.72 UGT2B7 (0.32)
SCHEMBL30521567 0.72 SMN1; SMN2 (0.34) RAB9AKDM4EALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 US disclosed
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2023-07-25 US disclosed
WO-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed
EP-4001277-A2 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC Immune SA (CH) 2022-05-25 EP disclosed
EP-3426653-B1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA (CH) 2021-12-15 EP disclosed
US-20200299305-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA 2020-09-24 US disclosed
US-20190071450-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA (CH) 2019-03-07 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-7157456-B2 Anticoagulates for treating cardiovascular disorders, such as myocardial infarct, angina pectoris, restenoses after angioplasty, bypass, stroke; treatment of atherosclerosis, arthritis, Alzheimer's disease or cancer BAYER HEALTHCARE AG (DE) 2007-01-02 US disclosed
US-7157456-B2 Anticoagulates for treating cardiovascular disorders, such as myocardial infarct, angina pectoris, restenoses after angioplasty, bypass, stroke; treatment of atherosclerosis, arthritis, Alzheimer's disease or cancer BAYER HEALTHCARE AG (DE) 2007-01-02 US disclosed
WO-2006041831-A2 CYCLIC Β-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-20 WO disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 WO disclosed
WO-2004108892-A2 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-16 WO disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed
WO-2004031145-A2 LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 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 (4 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-20190071450-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY SNCA, PARK7, NLN RAB9A 906/4885CCR1 4837/4885CCR5 4507/4885
US-20200299305-A1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY SNCA, PARK7, NLN RAB9A 906/4885CCR1 4837/4885CCR5 4507/4885
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 RAB9A 2582/4885CCR1 2052/4885CCR5 2842/4885
US-11707452-B2 Modulators of alpha-synuclein proteolysis and associated methods of use UCHL1, ADRM1, CRBN RAB9A 2849/4885CCR1 4696/4885CCR5 4768/4885

“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.