SCHEMBL4902847

SCHEMBL4902847

NCC1CCc2[nH]c3ccc(Cl)cc3c2C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 8/20 0.52
HTR1B P28222 5/20 0.45
HTR1D P28221 4/20 0.45
SIRT2 Q8IXJ6 3/20 0.43
SIRT3 Q9NTG7 2/20 0.43
BAZ2B Q9UIF8 1/20 0.43
VPS4B O75351 1/20 0.43
VCP P55072 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
KMT2A Q03164 1/20 0.41
HTR1A P08908 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
SCHEMBL4900711 0.84 VPS4B (0.58) HTR1BHTR1DVPS4BVCPHTR2A
SCHEMBL4900652 0.84 VPS4B (0.58) HTR1BHTR1DVPS4BVCPHTR2A
SCHEMBL4895828 0.83 HTR1B (0.39) SIRT1HTR1BHTR1DVPS4BVCP
SCHEMBL6529419 0.82 HTR1B (0.65) SIRT1HTR1BHTR1DSIRT2SIRT3
SCHEMBL6529421 0.82 HTR1B (0.65) SIRT1HTR1BHTR1DSIRT2SIRT3
SCHEMBL10748232 0.80 NR2E1 (0.66) NR2E1HTR2AHTR2C
SCHEMBL4904688 0.79 VPS4B (0.39) HTR1BHTR1DVPS4BVCPNR2E1
SCHEMBL23657201 0.79 KMT2A (0.64) SIRT1HTR1BHTR1DBAZ2BHTR2A
SCHEMBL7409510 0.79 SIRT1 (0.55) SIRT1HTR1BHTR1DSIRT2SIRT3
SCHEMBL4902694 0.78 HTR1B (0.51) HTR1BHTR1DVPS4BVCPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US claimed
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP claimed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US claimed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 WO claimed
US-12583818-B2 Compound, preparation method thereof, and use thereof DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2026-03-24 US disclosed
EP-4065553-B1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF DAEGU GYEONGBUK MEDICAL INNOVATION FOUND (KR) 2025-01-29 EP disclosed
CN-114981241-B Novel compounds, process for their preparation and their use 大邱庆北尖端医疗产业振兴财团 2024-11-19 CN disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF PIMEDBIO, INC. (KR) 2023-05-11 US disclosed
EP-4065553-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2022-10-05 EP disclosed
CN-114981241-A Novel compound, preparation method and application thereof 大邱庆北尖端医疗产业振兴财团 2022-08-30 CN disclosed
WO-2021145729-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-07-22 WO disclosed
WO-2021145729-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-07-22 WO disclosed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US disclosed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 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 (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-12583818-B2 Compound, preparation method thereof, and use thereof TYRO3, TH, SRMS SIRT1 4210/4885HTR1B 374/4885HTR1D 364/4885
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C SIRT1 389/4885HTR1B 19/4885HTR1D 18/4885
US-20230142654-A1 NOVEL COMPOUND, PREPARATION METHOD THEREOF, AND USE THEREOF TYR, TYRO3, TH SIRT1 4454/4885HTR1B 1311/4885HTR1D 2737/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C SIRT1 389/4885HTR1B 19/4885HTR1D 18/4885

“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.