SCHEMBL1662903

SCHEMBL1662903

O=C1OCCN1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
NPY5R Q15761 1/20 0.35
HTR2C P28335 4/20 0.34
HTR2B P41595 3/20 0.34
DGAT1 O75907 1/20 0.34
LTA4H P09960 4/20 0.33
KCNH2 Q12809 3/20 0.33
HTR2A P28223 2/20 0.33
CCR5 P51681 1/20 0.33
NAAA Q02083 1/20 0.33
F10 P00742 1/20 0.33
VNN1 O95497 1/20 0.33
FPR2 P25090 1/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL2320336 0.98 TP53 (0.35) TP53NPY5RHTR2CHTR2BDGAT1
SCHEMBL30419389 0.89 NAAA (0.37) NPY5RHTR2CHTR2BHTR2ANAAA
SCHEMBL2855915 0.89 HTR2C (0.39) TP53HTR2CHTR2BLTA4HHTR2A
SCHEMBL21201838 0.89 NAAA (0.37) NPY5RHTR2CHTR2BHTR2ANAAA
Hydrochloric Acid SCHEMBL21772819 0.87 NAAA (0.36) NPY5RHTR2CHTR2BHTR2ANAAA
SCHEMBL22587627 0.87 HTR2C (0.38) TP53HTR2CHTR2BLTA4HHTR2A
Hydrochloric Acid SCHEMBL20292154 0.87 HTR2C (0.38) TP53HTR2CHTR2BLTA4HHTR2A
SCHEMBL22595159 0.86 HTR2C (0.37) TP53HTR2CHTR2BLTA4HHTR2A
SCHEMBL15758671 0.86
Tert-Butyl Formate SCHEMBL28784746 0.84 VNN1 (0.35) TP53NPY5RDGAT1LTA4HKCNH2

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483490-B Synthesis method of 3- (piperidine-4-yl) oxazolidine-2-ketone and salt thereof 苏州汉德创宏生化科技有限公司 2023-02-03 CN claimed
US-12473304-B2 Heterocyclic PAD4 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-11-18 US disclosed
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
CN-110483490-B Synthesis method of 3- (piperidine-4-yl) oxazolidine-2-ketone and salt thereof 苏州汉德创宏生化科技有限公司 2023-02-03 CN disclosed
CN-110483490-B Synthesis method of 3- (piperidine-4-yl) oxazolidine-2-ketone and salt thereof 苏州汉德创宏生化科技有限公司 2023-02-03 CN disclosed
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
EP-3423436-B1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 EP disclosed
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-04 US disclosed
US-20190084959-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-21 US disclosed
EP-3022194-B1 INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-17 EP disclosed
US-6124279-A NEUROKININ A ANTAGONISTS, ANTIASTHMATIC AGENTS ZENECA LIMITED (GB) 2000-09-26 US disclosed
EP-1003514-A1 CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2000-05-31 EP disclosed
US-5990130-A NOVEL 4-SUBSTITUTED PIPERIDINE DERIVATIVES WHICH ANTAGONIZE NEUROKININ; USEFUL IN TREATMENT OF ASMTHMA AND RELATED CONDITIONS ZENECA LIMITED (GB) 1999-11-23 US disclosed
WO-1999004794-A1 CYCLIC AMINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1999-02-04 WO disclosed
US-5861392-A NONPEPTIDE ANTAGONISTS OF NEUROKININ A USEFUL FOR THE TREATMENT OF ASTHMA ZENECA LIMITED (GB) 1999-01-19 US disclosed
EP-0714392-B1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LTD (GB) 1998-11-04 EP disclosed
US-5567700-A USEFUL FOR TREATING ASTHMA ZENECA LIMITED (GB) 1996-10-22 US disclosed
CN-1129449-A Heterocycles useful as neurokinin antagonists ZENCA LIMITED (GB) 1996-08-21 CN disclosed
EP-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 EP disclosed
WO-1995005377-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1995-02-23 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 (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-12473304-B2 Heterocyclic PAD4 inhibitors PADI6, PADI4, PADI1 TP53 2748/4885NPY5R 706/4885HTR2C 3634/4885
US-10730850-B2 Pyridinylmethyl carbamimidoylcarbamate derivatives and their use as AOC3 inhibitors AOC3, XDH, CYP3A43 TP53 3126/4885NPY5R 1710/4885HTR2C 1340/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 TP53 1587/4885NPY5R 3213/4885HTR2C 3453/4885
US-20190084959-A1 PYRIDINYLMETHYL CARBAMIMIDOYLCARBAMATE DERIVATIVES AND THEIR USE AS AOC3 INHIBITORS AOC3, XDH, CYP3A43 TP53 3028/4885NPY5R 1946/4885HTR2C 1735/4885

“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.