SCHEMBL4094330

SCHEMBL4094330

C[C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.72
HRH4 Q9H3N8 1/20 0.72
ACHE P22303 1/20 0.61
FUCA1 P04066 2/20 0.56
SIGMAR1 Q99720 1/20 0.54
MC4R P32245 1/20 0.50
MAPT P10636 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR5 Q9H228 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
GBA1 P04062 1/20 0.47

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
SCHEMBL12050627 1.00 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL4094332 1.00 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL4094335 1.00 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL17266469 1.00 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL12205371 0.92 ACHE (0.66) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL19709016 0.88 ACHE (0.72) HRH3HRH4ACHESIGMAR1
SCHEMBL21483083 0.88 HRH3 (0.57) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL21462626 0.88 FUCA1 (0.57) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL1555805 0.88 FUCA1 (0.57) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL22506618 0.88 FUCA1 (0.57) HRH3HRH4ACHEFUCA1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG SHANGHAI ZHEYE BIOTECHNOLOGY CO., LTD. (CN) 2023-05-25 US disclosed
US-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-05-11 US disclosed
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-11 US disclosed
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-05-11 US disclosed
US-10800784-B2 Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2020-10-13 US disclosed
EP-3555063-B1 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2020-09-16 EP disclosed
US-20200071297-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 US disclosed
US-20200071297-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 US disclosed
EP-3555063-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2019-10-23 EP disclosed
WO-2018108704-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-21 WO disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-8076329-B2 Histamine H3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2011-12-13 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20100152452-A1 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-06-17 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
US-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS BIOPROJET (FR) 2009-04-30 US disclosed
EP-1717234-A1 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP disclosed
EP-1717235-A2 Phenoxypropylpiperidines and -pyrrolidines and their use as histamine H3-receptor ligands BIOPROJET (FR) 2006-11-02 EP 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 (8 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-20090111808-A1 NOVEL HISTAMINE H3-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS HRH3, HRH4, HRH1 HRH3 1/4885HRH4 2/4885ACHE 300/4885
US-10800784-B2 Nitrogen-containing heterocyclic amide compound and pharmaceutical use thereof IDH2, PC, FH HRH3 2596/4885HRH4 1996/4885ACHE 1302/4885
US-20100152452-A1 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES DHPS, AZI2, DPYD HRH3 1707/4885HRH4 912/4885ACHE 2351/4885
US-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 HRH3 1496/4885HRH4 677/4885ACHE 3538/4885
US-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs TYR, MAPT, DDC HRH3 1529/4885HRH4 1056/4885ACHE 2597/4885
US-20200071297-A1 NEW 6-AMINO-QUINOLINONE COMPOUNDS AND DERIVATIVES AS BCL6 INHIBITORS BCL6, BCL6B, BCOR HRH3 1708/4885HRH4 2084/4885ACHE 4841/4885
US-11001570-B2 6-amino-quinolinone compounds and derivatives as BCL6 inhibitors BCL6, BCL6B, BCOR HRH3 1903/4885HRH4 2493/4885ACHE 4799/4885
US-20230159529-A1 AROMATIC COMPOUND AND APPLICATION THEREOF IN ANTITUMOR DRUG TYR, APC, TP53 HRH3 3034/4885HRH4 2604/4885ACHE 4353/4885

“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.