SCHEMBL22057308

SCHEMBL22057308

O=C1OC2(CCNCC2)c2cc(F)ccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.45
HTR2C P28335 2/20 0.40
AVPR1A P37288 1/20 0.40
CTSC P53634 1/20 0.39
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
MAPT P10636 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
DPP4 P27487 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 SCHEMBL6820680 0.98 NPY5R (0.44) NPY5RHTR2CAVPR1ACTSCAKR1A1
SCHEMBL738397 0.88 AVPR1A (0.50) NPY5RHTR2CAVPR1AMAPTSIGMAR1
Hydrochloric Acid SCHEMBL6820620 0.87 AVPR1A (0.49) NPY5RHTR2CAVPR1AMAPTSIGMAR1
SCHEMBL29922364 0.83 NPY5R (0.43) NPY5RAVPR1AAKR1A1AKR1B1MAPT
SCHEMBL3839131 0.82 AVPR1A (0.50) NPY5RHTR2CAVPR1AAKR1A1AKR1B1
SCHEMBL18373156 0.82 NPY5R (0.45) NPY5RHTR2CAVPR1ACTSCMAPT
SCHEMBL5136522 0.81 SIGMAR1 (0.42) NPY5RAVPR1ACTSCSIGMAR1
Hydrochloric Acid SCHEMBL6819610 0.81 AVPR1A (0.49) AVPR1ACTSCMAPTSIGMAR1
SCHEMBL4367569 0.79 AVPR1A (0.48) NPY5RAVPR1AAKR1B1SIGMAR1
SCHEMBL29674557 0.79 SIGMAR1 (0.54) NPY5RAVPR1ASIGMAR1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 NPY5R 247/4885HTR2C 1183/4885AVPR1A 168/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 NPY5R 259/4885HTR2C 1053/4885AVPR1A 158/4885

“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.