SCHEMBL3126933

SCHEMBL3126933

Fc1cc(Cl)ccc1CCBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 6/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ GRM2 Q14416 2/20 0.39
▸ CXCR3 P49682 3/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ KCNH2 Q12809 4/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ ERCC1 P07992 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ HTR2C P28335 2/20 0.35

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
SCHEMBL29447991 1.00 HTR2A (0.40) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL29448063 0.85 MEN1 (0.39) HTR2AIDO1CYP1A2CYP3A4CYP2C9
SCHEMBL20901360 0.85 MEN1 (0.39) HTR2AIDO1CYP1A2CYP3A4CYP2C9
SCHEMBL269324 0.83 HTR2A (0.41) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL14774649 0.82 HTR2A (0.38) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL18482277 0.81 HTR2A (0.41) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL4392149 0.81 TAAR1 (0.50) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL11539939 0.80 IDO1 (0.41) TP53IDO1CYP1A2CYP3A4CYP2C9
SCHEMBL25322706 0.79 HTR2A (0.43) HTR2ATP53HTR1AHTR7HTR6
SCHEMBL2339561 0.79 CA2 (0.41) HTR2ATP53HTR1AHTR7HTR6

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
US-12612380-B2 Non-lysosomal glucosylceramidase inhibitors and uses thereof ALECTOS THERAPEUTICS 1NC (CA) 2026-04-28 — — US disclosed
EP-3966199-B1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC (CA) 2026-03-18 — — EP disclosed
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 — — CN disclosed
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2022-07-07 — — US disclosed
CN-114174263-A Non-lysosomal glucosylceramidase inhibitors and uses thereof 阿勒克图治疗公司 2022-03-11 — — CN disclosed
CN-104520292-A Sulfonyl piperidine derivatives and use for treating prokineticin mediated diseases TAKEDA PHARMACEUTICAL 2015-04-15 — — CN disclosed
US-8476285-B2 Purine-core inhibitors of HSP90 and their use in treating cancer MYREXIS, INC. (US) 2013-07-02 — — US disclosed
CN-101061098-B Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV 2012-05-23 — — CN disclosed
CN-102459162-A Novel cyclopentane derivatives HOFFMANN LA ROCHE 2012-05-16 — — CN disclosed
CN-101679354-A As GABABNovel triazinedione derivatives as receptor modulators ADDEX PHARMACEUTICALS SA 2010-03-24 — — CN disclosed
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2010-01-21 — — US disclosed
US-7595401-B2 Therapeutic compounds and their use in cancer MYRIAD PHARMACEUTICALS, INC. (US) 2009-09-29 — — US disclosed
EP-2038041-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER Myriad Genetics, Inc. (US) 2009-03-25 — — EP disclosed
EP-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 — — EP disclosed
US-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INCORPORATED (US) 2007-12-27 — — US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 — — WO disclosed
CN-101061098-A Novel pyridinone derivatives and their use as positive allosteric modulators of mglur2-receptors JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 — — CN disclosed
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa GLAXO GROUP LIMITED (GB) 2006-07-27 — — US disclosed
EP-1567489-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2005-08-31 — — EP disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 — — 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 (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-20070299258-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 HTR2A 4744/4885TP53 2/4885HTR1A 4834/4885
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA HTR2A 4501/4885TP53 3810/4885HTR1A 4660/4885
US-20100016586-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MCL1, TP53, TUBB3 HTR2A 4744/4885TP53 2/4885HTR1A 4834/4885
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 HTR2A 2735/4885TP53 4281/4885HTR1A 1645/4885
US-12612380-B2 Non-lysosomal glucosylceramidase inhibitors and uses thereof GBA1, GBA2, MAN2B1 HTR2A 3658/4885TP53 4372/4885HTR1A 3351/4885

“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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