SCHEMBL701588

SCHEMBL701588

CN1C2CCCC1CNC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
HTR6 P50406 1/20 0.38
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CHRM4 P08173 2/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
HRH1 P35367 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CHRM2 P08172 1/20 0.31

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 SCHEMBL274610 0.97 MAPK1 (0.44) MAPK1HTR6LMNACYP2C9CHRM4
SCHEMBL1449366 0.94 HTR6 (0.43) MAPK1HTR6LMNACYP2C9
SCHEMBL16382274 0.88
SCHEMBL12029112 0.88
SCHEMBL12208387 0.88
SCHEMBL272039 0.88
Hydrochloric Acid SCHEMBL272255 0.86 LMNA (0.42) MAPK1HTR6LMNACYP2C9
Hydrochloric Acid SCHEMBL21378869 0.86 LMNA (0.42) MAPK1HTR6LMNACYP2C9
Bromide SCHEMBL29867591 0.86 LMNA (0.42) MAPK1HTR6LMNACYP2C9
Hydrochloric Acid SCHEMBL9475384 0.86 LMNA (0.42) MAPK1HTR6LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025122610-A1 THERAPEUTIC COMBINATIONS AND METHODS FOR 5-HT3 RECEPTOR MODULATORS IN TREATING VARIOUS DISORDERS SEROTONIX LLC (US) 2025-06-12 WO disclosed
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20230146795-A1 ENHANCEMENT OF ANTI-TUMOR ACTIVITY OF SHP2 INHIBITOR PYRIMIDINONE IN COMBINATION WITH NOVEL CANCER MEDICINES IN CANCERS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-05-11 US disclosed
WO-2022033430-A1 HETEROTRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 深圳微芯生物科技股份有限公司 2022-02-17 WO disclosed
US-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2017-08-03 US disclosed
US-9045501-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2015-06-02 US disclosed
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-21 US disclosed
US-8710046-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-8710047-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-21 US disclosed
WO-2007090888-A1 3-HETEROARYL- 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS NEUROSEARCH A/S (DK) 2007-08-16 WO disclosed
WO-2007090886-A1 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-08-16 WO disclosed
WO-2007090887-A1 3, 9-DIAZABICYCLO [3.3. 1]NONANE DERIVATIVES AND THEIR USE AS MONOAMINE?NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-08-16 WO disclosed
WO-2007065892-A1 NOVEL DIAZABICYCLIC ARYL DERIVATIVES AND THEIR MEDICAL USE NEUROSEARCH A/S (DK) 2007-06-14 WO disclosed
WO-2006087306-A2 DIAZABICYCLIC ARYL DERIVATIVES AND THEIR USE AS CHOLINERGIC LIGANDS AT THE NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2006-08-24 WO disclosed
US-5091383-A SUBSTITUTED BRIDGED DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-02-25 US disclosed
EP-0215650-B1 SUBSTITUTED BRIDGED-DIAZABICYCLOALKYL QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1992-01-29 EP disclosed
US-4861779-A Anti-bacterial substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1989-08-29 US disclosed
US-4775668-A Substituted bridged-diazabicycloalkyl quinolone carboxylic acids and anti-bacterial use thereof PFIZER INC. (US) 1988-10-04 US disclosed
EP-0215650-A2 Substituted bridged-diazabicycloalkyl quinolone carboxylic acids PFIZER INC. (US) 1987-03-25 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 (5 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-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MAPK1 3092/4885HTR6 8/4885LMNA 4803/4885
US-20140234443-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B MAPK1 3092/4885HTR6 8/4885LMNA 4803/4885
US-20170217974-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, ZC3HAV1, SLC10A1 MAPK1 2105/4885HTR6 4668/4885LMNA 1313/4885
US-20230146795-A1 ENHANCEMENT OF ANTI-TUMOR ACTIVITY OF SHP2 INHIBITOR PYRIMIDINONE IN COMBINATION WITH NOVEL CANCER MEDICINES IN CANCERS PTPN5, PTPN7, PTPN1 MAPK1 222/4885HTR6 4632/4885LMNA 4843/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 MAPK1 321/4885HTR6 3830/4885LMNA 4776/4885

“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.