SCHEMBL2997329

SCHEMBL2997329

N#Cc1cc(F)ccc1N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
KDR P35968 1/20 0.48
HTR1A P08908 8/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
HTR7 P34969 4/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
CDC42BPB Q9Y5S2 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.44
HTR6 P50406 3/20 0.43
HTR2B P41595 2/20 0.43
HTR3A P46098 3/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
AR P10275 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 SCHEMBL23302956 0.98 ALDH1A1 (0.56) ALDH1A1KDRHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL29882494 0.98 ALDH1A1 (0.56) ALDH1A1KDRHTR1ASLC6A2SLC6A4
SCHEMBL8182535 0.89 ALDH1A1 (0.56) ALDH1A1KDRHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL20139842 0.87 ALDH1A1 (0.55) ALDH1A1KDRHTR1ASLC6A2SLC6A4
SCHEMBL20140512 0.81 ALDH1A1 (0.68) ALDH1A1HTR1AHTR7ROCK2ROCK1
SCHEMBL3636287 0.80 GAA (0.56) ALDH1A1HTR1AHTR7ROCK2ROCK1
SCHEMBL20883839 0.80 HTR3A (0.52) ALDH1A1HTR1ASLC6A4HTR7ROCK2
SCHEMBL654285 0.80 ALDH1A1 (0.57) ALDH1A1HTR1ASLC6A4HTR7ROCK2
SCHEMBL14922285 0.80 ALDH1A1 (0.61) ALDH1A1ROCK2ROCK1CDC42BPBHTR3A
SCHEMBL8295772 0.80 ALDH1A1 (0.54) ALDH1A1HTR1ASLC6A2SLC6A4HTR7

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 25 patents — showing the first 20. 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-2018089433-A1 PHENYL 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-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
US-7595314-B2 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-09-29 US disclosed
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES ALBERATI-GIANI DANIELA 2009-07-30 US disclosed
WO-2008152089-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-12-18 WO disclosed
WO-2008152090-A1 NOVEL COMPOUND GLAXO GROUP LIMITED (GB) 2008-12-18 WO disclosed
EP-1663232-B1 1-(2-AMINO-BENZOYL)-PIPERAZINE DERIVATIVES AS GLYCINE UPTAKE INHIBITORS FOR THE TREATMENT OF PSYCHOSES HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
US-20050070539-A1 Benzoyl-piperazine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2005-03-31 US disclosed
US-6013654-A Imidazo[1,2-A]pyridines for the treatment of CNS and cardiac diseases PHARMACIA & UPJOHN COMPANY (US) 2000-01-11 US disclosed
US-5912246-A Imidazo 1,2-a!pyridines for the treatment of CNS and cardiac diseases PHARMACIA & UPJOHN COMPANY (US) 1999-06-15 US disclosed
EP-0809642-A1 IMIDAZO 1,2-A]PYRIDINES FOR THE TREATMENT OF CNS AND CARDIAC DISEASES PHARMACIA & UPJOHN COMPANY (US) 1997-12-03 EP disclosed
WO-1996025414-A1 IMIDAZO[1,2-A]PYRIDINES FOR THE TREATMENT OF CNS AND CARDIAC DISEASES PHARMACIA & UPJOHN COMPANY (US) 1996-08-22 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 (7 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-20100227870-A1 Novel Compounds GRM5, GRIK5, GRM1 ALDH1A1 3874/4885KDR 4052/4885HTR1A 286/4885
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR ALDH1A1 3942/4885KDR 3055/4885HTR1A 2930/4885
US-10414727-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR ALDH1A1 3942/4885KDR 3055/4885HTR1A 2930/4885
US-20050070539-A1 Benzoyl-piperazine derivatives OPRL1, ACHE, PNMT ALDH1A1 582/4885KDR 3807/4885HTR1A 110/4885
US-20090192136-A1 BENZOYL-PIPERAZINE DERIVATIVES OPRL1, ACHE, PNMT ALDH1A1 582/4885KDR 3807/4885HTR1A 110/4885
US-20180127370-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR ALDH1A1 3942/4885KDR 3055/4885HTR1A 2930/4885
US-20200207716-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF MTOR, RICTOR, RPTOR ALDH1A1 3942/4885KDR 3055/4885HTR1A 2930/4885

“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.