SCHEMBL414216

SCHEMBL414216

CN1CCN(c2ccccc2C=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.55
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.49
EGFR P00533 1/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HTR1A P08908 1/20 0.46
DRD4 P21917 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
POLB P06746 2/20 0.45
NCF1 P14598 1/20 0.45
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MC4R P32245 1/20 0.43

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
SCHEMBL31376167 1.00 ADRA2C (0.55) ADRA2CKMT2AMEN1DRD2DRD3
Hydrochloric Acid SCHEMBL5154521 0.98 ADRA2C (0.53) ADRA2CKMT2AMEN1DRD2DRD3
SCHEMBL1737649 0.93 NCF1 (0.55) ADRA2CKMT2AMEN1DRD2DRD3
SCHEMBL29946548 0.84 DRD2 (0.47) ADRA2CKMT2AMEN1DRD2DRD3
SCHEMBL3582553 0.84 DRD2 (0.47) ADRA2CKMT2AMEN1DRD2DRD3
SCHEMBL24159517 0.83 ADRA2C (0.49) ADRA2CKMT2AMEN1DRD2DRD3
SCHEMBL3220834 0.82 ALDH1A1 (0.50) KMT2AMEN1MAPK1LMNAEGFR
SCHEMBL23064633 0.82 MEN1 (0.48) KMT2AMEN1MAPK1LMNAEGFR
SCHEMBL27978816 0.81 ALDH1A1 (0.47) KMT2AMEN1MAPK1LMNAMAPT
SCHEMBL31167266 0.81 KEAP1 (0.52) KMT2AMEN1MAPK1LMNAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2026-03-24 US disclosed
US-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2024-09-26 US disclosed
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-11497744-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2022-11-15 US disclosed
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-10-27 US disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS DANA FARBER CANCER INST INC (US) 2020-05-14 US disclosed
US-6197773-B1 HEADACHES; ANTIDEPRESSANTS PFIZER INC 2001-03-06 US disclosed
EP-0952154-A2 N-acyl and N-aroyl aralkyl amides Pfizer Products Inc. (US) 1999-10-27 EP disclosed
CN-1231661-A Lactams and imides of aralkyl and arylalkylene heterocycles PFIZER (US) 1999-10-13 CN disclosed
EP-0929528-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1999-07-21 EP disclosed
EP-0894085-A1 BENZYL(IDENE)-LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE (ANT)AGONISTS OF 5-HT1A- AND/OR 5-HT1D RECEPTORS PFIZER INC. (US) 1999-02-03 EP disclosed
WO-1998014433-A1 ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES PFIZER INC. (US) 1998-04-09 WO disclosed
EP-0810220-A1 Arylacrylamide derivatives as 5HT1 agonists or antagonists PFIZER INC. (US) 1997-12-03 EP disclosed
WO-1997036867-A1 BENZYL(IDENE)-LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE (ANT)AGONISTS OF 5-HT1A- AND/OR 5-HT1D RECEPTORS PFIZER INC. (US) 1997-10-09 WO disclosed
EP-0232399-A1 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1987-08-19 EP disclosed
WO-1987001114-A2 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-02-26 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-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 ADRA2C 2238/4885KMT2A 4253/4885MEN1 4543/4885
US-10813939-B2 Bromodomain inhibitor as adjuvant in cancer immunotherapy BRDT, BRD4, BRD1 ADRA2C 3610/4885KMT2A 415/4885MEN1 4108/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 ADRA2C 4388/4885KMT2A 231/4885MEN1 2413/4885
US-11497744-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCL12, CXCR1 ADRA2C 2238/4885KMT2A 4253/4885MEN1 4543/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 ADRA2C 2238/4885KMT2A 4253/4885MEN1 4543/4885
US-20200148702-A1 COMPOSITIONS AND METHODS FOR TREATING NEOPLASIA, INFLAMMATORY DISEASE AND OTHER DISORDERS BRPF3, EP300, BRD3 ADRA2C 4610/4885KMT2A 134/4885MEN1 1913/4885
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCR2, CXCR1 ADRA2C 727/4885KMT2A 2692/4885MEN1 4454/4885

“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.