SCHEMBL20129631

SCHEMBL20129631

CC1(C)CNCCN1c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.54
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 6/20 0.47
HPGD P15428 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
TSHR P16473 3/20 0.47
USP2 O75604 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 3/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
CRBN Q96SW2 1/20 0.41
ALOX5 P09917 1/20 0.41

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 SCHEMBL16236202 0.79 ALDH1A1 (0.50) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL6111509 0.79 PLD1 (0.48) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL29688703 0.78 PIM1 (0.39) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL9394372 0.78 PLD1 (0.50) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL5468976 0.77 PIM1 (0.36) HTR2AHTR2CHTR2BPIM1PIM2
SCHEMBL28715941 0.76 PLD1 (0.48) PLD1ALDH1A1HSD17B10HPGDCYP3A4
SCHEMBL746788 0.75 ADRB1 (0.47) ALDH1A1HSD17B10CYP3A4CYP2D6TSHR
SCHEMBL6912810 0.74 KDM4E (0.47) ALDH1A1PIM1PIM2KDM4E
Hydrochloric Acid SCHEMBL6830556 0.73 ADRB1 (0.46) ALDH1A1HSD17B10CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL2225995 0.73 KDM4E (0.46) ALDH1A1PIM1PIM2KDM4E

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 8 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
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP 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
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

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

For each of this compound's patents that has machine-readable text (4 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 PLD1 1370/4885ALDH1A1 3942/4885HSD17B10 4253/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR PLD1 1370/4885ALDH1A1 3942/4885HSD17B10 4253/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR PLD1 1370/4885ALDH1A1 3942/4885HSD17B10 4253/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR PLD1 1370/4885ALDH1A1 3942/4885HSD17B10 4253/4885

“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.