SCHEMBL738236

SCHEMBL738236

O=C1OC2(CCNCC2)c2c(F)cccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.48
HTR2C P28335 4/20 0.46
SIGMAR1 Q99720 2/20 0.40
NPY5R Q15761 3/20 0.39
DRD2 P14416 1/20 0.37
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CRBN Q96SW2 1/20 0.35
SRD5A1 P18405 1/20 0.34
OPRD1 P41143 2/20 0.33
KCNH2 Q12809 2/20 0.33
HTR2B P41595 2/20 0.33
HTR7 P34969 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
OPRK1 P41145 1/20 0.33

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 SCHEMBL6820335 0.98 AVPR1A (0.47) AVPR1AHTR2CSIGMAR1NPY5RDRD2
SCHEMBL22058135 0.84 HTR2C (0.40) AVPR1AHTR2CSIGMAR1NPY5RDRD2
Hydrochloric Acid SCHEMBL20955640 0.83 SIGMAR1 (0.40) AVPR1AHTR2CSIGMAR1NPY5RDRD2
SCHEMBL4361010 0.81 HTR2C (0.46) AVPR1AHTR2CSIGMAR1NPY5RDRD2
SCHEMBL28507645 0.78 HTR2C (0.47) HTR2CSIGMAR1NPY5RDRD2CHRM1
SCHEMBL14349490 0.78 AVPR1A (0.58) AVPR1AHTR2CSIGMAR1NPY5RDRD2
SCHEMBL737225 0.77 HRH3 (0.46) HTR2CSIGMAR1NPY5RDRD2CRBN
SCHEMBL4369276 0.76 AVPR1A (0.49) AVPR1AHTR2CSIGMAR1NPY5RDRD2
Hydrochloric Acid SCHEMBL20955703 0.76 HRH3 (0.45) HTR2CSIGMAR1NPY5RDRD2CRBN
SCHEMBL22057299 0.76 HTR2C (0.34) AVPR1AHTR2CSIGMAR1NPY5ROPRD1

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 9 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
EP-3083633-A1 SPIRO-OXAZOLONES F.HOFFMANN-LA ROCHE AG (CH) 2016-10-26 EP disclosed
WO-2015091411-A1 SPIRO-OXAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO 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 AVPR1A 200/4885HTR2C 239/4885SIGMAR1 11/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 AVPR1A 168/4885HTR2C 1183/4885SIGMAR1 863/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 AVPR1A 158/4885HTR2C 1053/4885SIGMAR1 526/4885

“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.