SCHEMBL4635979

SCHEMBL4635979

N#Cc1ccccc1N1CC2C(N)C2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 2/20 0.44
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
GRM5 P41594 1/20 0.40
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
HTR7 P34969 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.37
AR P10275 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADAM17 P78536 1/20 0.36
CYP3A4 P08684 1/20 0.36
TRPA1 O75762 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL20129652 0.85 GRM1 (0.46) GRM1DPP4DPP8DPP9DPP7
SCHEMBL4635321 0.82 AR (0.60) DPP4AR
SCHEMBL22210083 0.78 GRM1 (0.41) GRM1DPP4DPP8DPP9DPP7
SCHEMBL30619380 0.78 GRM1 (0.49) GRM1DPP4DPP8DPP9DPP7
SCHEMBL27488325 0.78 GRM1 (0.49) GRM1DPP4DPP8DPP9DPP7
SCHEMBL12835705 0.77 DPP4 (0.47) GRM1DPP4GRM5KDM4EALDH1A1
SCHEMBL20129683 0.77 DPP4 (0.47) GRM1DPP4GRM5KDM4EALDH1A1
SCHEMBL8221306 0.77 GRM2 (0.44) GRM1DPP4DPP8DPP9DPP7
SCHEMBL4635237 0.77 DPP4 (0.47) DPP4DPP8DPP9KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1514528 0.76 DPP4 (0.47) GRM1DPP4GRM5KDM4EALDH1A1

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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 US disclosed
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2020-07-02 US disclosed
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 US disclosed
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. 2018-05-10 US disclosed
US-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2008-12-04 US disclosed
EP-1931633-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007029086-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO 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 (5 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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR GRM1 1701/4885DPP4 1428/4885DPP8 1736/4885
US-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP8 GRM1 2664/4885DPP4 1/4885DPP8 3/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR GRM1 1701/4885DPP4 1428/4885DPP8 1736/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR GRM1 1701/4885DPP4 1428/4885DPP8 1736/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR GRM1 1701/4885DPP4 1428/4885DPP8 1736/4885

“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.