SCHEMBL1476002

SCHEMBL1476002

Cc1ccccc1/C=C/C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.47
▸ RAB9A P51151 3/20 0.44
▸ TSHR P16473 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ PTGS2 P35354 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GMNN O75496 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ KHK P50053 1/20 0.38
▸ APOBEC3A P31941 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ SLC18A3 Q16572 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
SCHEMBL1476005 1.00 HTR2C (0.47) HTR2CRAB9ATSHRTP53CYP1A2
SCHEMBL13794937 1.00 HTR2C (0.47) HTR2CRAB9ATSHRTP53CYP1A2
SCHEMBL2535218 0.81 HTR2C (0.46) HTR2CKDM1AKHKADRB1SLC6A2
SCHEMBL2535222 0.81 HTR2C (0.46) HTR2CKDM1AKHKADRB1SLC6A2
SCHEMBL2535408 0.81 HTR2C (0.46) HTR2CKDM1AKHKADRB1SLC6A2
SCHEMBL6011004 0.79 SLC18A3 (0.36) HTR2CCYP2D6LMNAKDM1AKHK
Hydrochloric Acid SCHEMBL2536590 0.79 HTR2C (0.47) HTR2CKDM1AKHKADRB1SLC6A2
SCHEMBL2719317 0.79 DYRK2 (0.40) RAB9AALDH1A1SLC18A3SIGMAR1ADRB1
SCHEMBL2719321 0.79 DYRK2 (0.40) RAB9AALDH1A1SLC18A3SIGMAR1ADRB1
SCHEMBL1477276 0.79 MAOA (0.54) KDM1ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1785415-B1 PIPERIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-05-02 — — EP disclosed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 — — US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 — — US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 — — US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 — — EP disclosed
EP-1785415-A1 PIPERIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2007-05-16 — — EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 — — US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 — — EP disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 — — 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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 HTR2C 336/4885RAB9A 2722/4885TSHR 3021/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 HTR2C 545/4885RAB9A 2555/4885TSHR 2573/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 HTR2C 336/4885RAB9A 2722/4885TSHR 3021/4885

“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.

Send feedback