SCHEMBL20129611

SCHEMBL20129611

COc1cccc(N2CCC(N)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.61
MAPT P10636 3/20 0.56
NPC1 O15118 2/20 0.56
KCNH2 Q12809 2/20 0.55
DRD2 P14416 1/20 0.55
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
DPP4 P27487 1/20 0.51
KDM4E B2RXH2 1/20 0.50
DHFR P00374 1/20 0.50
FFAR4 Q5NUL3 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48

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 SCHEMBL25307997 0.98 ADRB1 (0.59) ADRB1MAPTNPC1KCNH2DRD2
Hydrochloric Acid SCHEMBL30475416 0.98 ADRB1 (0.59) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL8038976 0.90 DPP4 (0.55) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL2093308 0.85 ADRB1 (0.63) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL11074672 0.84 ADRB1 (0.76) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL2093305 0.83 ADRB1 (0.61) ADRB1MAPTNPC1KCNH2DRD2
Ammonia Solution, Strong SCHEMBL8124587 0.83 ADRB1 (0.61) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL23657145 0.83 ADRB1 (0.61) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL8124584 0.83 ADRB1 (0.56) ADRB1MAPTNPC1KCNH2DRD2
SCHEMBL7324178 0.81 HTR3E (0.58) ADRB1MAPTNPC1DRD2ALDH1A1

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
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed
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 ADRB1 4438/4885MAPT 1388/4885NPC1 1719/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR ADRB1 4438/4885MAPT 1388/4885NPC1 1719/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR ADRB1 4438/4885MAPT 1388/4885NPC1 1719/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR ADRB1 4438/4885MAPT 1388/4885NPC1 1719/4885

“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.