SCHEMBL3962847

SCHEMBL3962847

NC(=O)c1ccc2ccn(C3CCNCC3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
JAK3 P52333 3/20 0.44
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1F P30939 1/20 0.42
RPS6KA3 P51812 1/20 0.41
PARP2 Q9UGN5 3/20 0.40
PARP1 P09874 2/20 0.40
SCD O00767 1/20 0.39
CHEK2 O96017 2/20 0.38
PIM1 P11309 2/20 0.38
ROCK2 O75116 1/20 0.38
PIM3 Q86V86 1/20 0.38
TTK P33981 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPK14 Q16539 2/20 0.37
LCK P06239 1/20 0.36

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
SCHEMBL30344212 0.90 HTR1A (0.46) JAK2JAK1TYK2JAK3HTR1A
SCHEMBL10079148 0.86 HTR1A (0.40) JAK2JAK1TYK2JAK3HTR1A
SCHEMBL544399 0.83 HTR1A (0.47) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL543803 0.83 ALDH1A1 (0.49) HTR1AHTR1DHTR1BHTR1FSCD
Hydrochloric Acid SCHEMBL544385 0.82 ALDH1A1 (0.48) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL29820574 0.80 HTR1A (0.41) HTR1AHTR1DHTR1BHTR1FRPS6KA3
SCHEMBL12459068 0.79 KDM4C (0.39) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL5871970 0.76 SCD (0.46) HTR1AHTR1DHTR1BHTR1FSCD
SCHEMBL5871634 0.76 HTR7 (0.40) HTR1AHTR1DHTR1BHTR1FPIM1
SCHEMBL4717916 0.76 SCD (0.45) SCDCHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1984900-B Indole derivatives having piperidine ring EISAI R&D MAN CO LTD 2010-11-10 CN disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7538123-B2 Indole derivative having piperidine ring EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 EP disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
US-20070219179-A1 Indole Derivative Having Piperidine Ring EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-09-20 US disclosed
CN-1984900-A Indole derivatives having piperidine ring EISAI R&D MAN CO LTD (JP) 2007-06-20 CN disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
EP-1757599-A1 INDOLE DERIVATIVES HAVING PIPERIDINE RINGS Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20050256103-A1 Indole derivative having piperidine ring EISAI CO., LTD. 2005-11-17 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 (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-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B JAK2 83/4885JAK1 885/4885TYK2 2919/4885
US-20070219179-A1 Indole Derivative Having Piperidine Ring HTR5A, HTR2C, HTR1A JAK2 553/4885JAK1 2425/4885TYK2 1165/4885
US-20050256103-A1 Indole derivative having piperidine ring HTR5A, HTR2C, HTR1A JAK2 462/4885JAK1 2133/4885TYK2 1206/4885

“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.