SCHEMBL737225

SCHEMBL737225

COc1cccc2c1C1(CCNCC1)OC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
SIGMAR1 Q99720 2/20 0.43
NPY5R Q15761 1/20 0.42
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
HTR7 P34969 4/20 0.40
DRD2 P14416 1/20 0.40
CRBN Q96SW2 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ACHE P22303 1/20 0.38
USP2 O75604 1/20 0.37
CYP2D6 P10635 1/20 0.37
TOP1 P11387 1/20 0.37
OPRD1 P41143 1/20 0.37
KCNH2 Q12809 1/20 0.37
APAF1 O14727 1/20 0.37

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
Hydrochloric Acid SCHEMBL20955703 0.99 HRH3 (0.45) HRH3SIGMAR1NPY5RHTR2CHTR2A
SCHEMBL1998813 0.84 HRH3 (0.47) HRH3NPY5RCRBNCA1CA2
SCHEMBL14530331 0.78 SIGMAR1 (0.49) SIGMAR1NPY5RHTR2CHTR2AHTR2B
SCHEMBL4361010 0.77 HTR2C (0.46) SIGMAR1NPY5RHTR2CHTR2BHTR7
SCHEMBL738236 0.77 AVPR1A (0.48) SIGMAR1NPY5RHTR2CHTR2BHTR7
SCHEMBL1998401 0.77 HRH3 (0.59) HRH3NPY5RCA1CA2CA7
SCHEMBL1998404 0.77 HRH3 (0.59) HRH3NPY5RCA1CA2CA7
SCHEMBL12568904 0.77 HRH3 (0.59) HRH3NPY5RCA1CA2CA7
SCHEMBL11832778 0.77 AVPR1A (0.50) SIGMAR1NPY5RCA1CA2CA7
Hydrochloric Acid SCHEMBL6820335 0.76 AVPR1A (0.47) SIGMAR1NPY5RHTR2CHTR2BHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 HRH3 2/4885SIGMAR1 11/4885NPY5R 385/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 HRH3 3405/4885SIGMAR1 863/4885NPY5R 247/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 HRH3 3468/4885SIGMAR1 526/4885NPY5R 259/4885

“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.