SCHEMBL654282

SCHEMBL654282

Oc1ccc(C2CCNCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.62
SLC18A3 Q16572 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
ESR2 Q92731 14/20 0.59
ESR1 P03372 9/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
HTR2C P28335 2/20 0.57
ESRRB O95718 2/20 0.52
ESRRG P62508 2/20 0.52
CYP2D6 P10635 1/20 0.52
KCNH2 Q12809 1/20 0.51

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 SCHEMBL2271784 0.98 QDPR (0.60) QDPRSLC18A3SIGMAR1ESR2ESR1
Bromide SCHEMBL17477290 0.98 QDPR (0.60) QDPRSLC18A3SIGMAR1ESR2ESR1
Ethane SCHEMBL28134207 0.96 ESR2 (0.59) QDPRSLC18A3SIGMAR1ESR2ESR1
SCHEMBL25936803 0.92 ESR2 (0.55) QDPRSLC18A3SIGMAR1ESR2ESR1
SCHEMBL20805968 0.87 HTR3A (0.66) QDPRESR2
SCHEMBL1865798 0.83 ESR2 (0.81) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL1986271 0.83 ESR2 (0.81) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3811445 0.83 ESR2 (0.81) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL3809909 0.83 ESR2 (0.81) ESR2ESR1CYP3A4CYP2C9CYP2D6
SCHEMBL4676148 0.81 SLC18A3 (0.67) QDPRSLC18A3SIGMAR1ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119325330-A Solar cell and preparation method thereof 天合光能股份有限公司 2025-01-17 CN claimed
US-20230035133-A1 [1,2,4]Triazolo[4,3-B]Pyridazines For Use in the Treatment of Proliferative Diseases ASTRAZENECA AB (SE) 2023-02-02 US claimed
CN-106750303-B A kind of polyarylether of the group containing methyl piperidine and preparation method thereof 吉林大学 2019-03-19 CN claimed
CN-106750303-A A kind of polyarylether containing methyl piperidine group and preparation method thereof 吉林大学 2017-05-31 CN claimed
CN-101484424-A Therapeutic compounds HELICON THERAPEUTICS INC (US) 2009-07-15 CN claimed
CN-101193867-A N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole libraries OSI PHARM INC (US) 2008-06-04 CN claimed
CN-1304929-A 4-hydroxy-4-phenyl piperidine derivative and medicine containing said derivative SS PHARMACEUTICAL CO (JP) 2001-07-25 CN claimed
EP-0630887-B1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LTD (GB) 1999-07-28 EP claimed
US-5654299-A TREATING RESPIRATORY SYSTEM DISORDER (I.E. ASTHMA) WITH NEUROKININ 2 RECEPTOR ANTAGONIST ZENECA LIMITED (GB) 1997-08-05 US claimed
EP-0630887-A1 4-(aryl-substituted)-piperidines as neurokinin receptor antagonists ZENECA LIMITED (GB) 1994-12-28 EP claimed
EP-4731223-A1 MORPHOLINE AND 1,4-OXAZEPANE COMPOUNDS AND ITS USE IN THERAPY Universitat De Barcelona (ES) 2026-04-29 EP disclosed
CN-120208859-A Method for synthesizing 4- (piperidin-4-yl) phenol by one-pot method 山东丰源生物医药科技有限公司 2025-06-27 CN disclosed
CN-120208859-A Method for synthesizing 4- (piperidin-4-yl) phenol by one-pot method 山东丰源生物医药科技有限公司 2025-06-27 CN disclosed
WO-2025066935-A1 COMPOUNDS, COMPOSITIONS AND METHODS THEREOF HEPAITECH (BEIJING) BIOPHARMA TECHNOLOGY CO., LTD. (CN) 2025-04-03 WO disclosed
CN-119325330-A Solar cell and preparation method thereof 天合光能股份有限公司 2025-01-17 CN disclosed
CN-1047291-A The 2-of anti-ischaemic agent croak pyridine subbase-1-alkanol derivatives PFIZER (US) 1990-11-28 CN disclosed
EP-0398578-A2 2-piperidino-1-alkanol derivatives as antiischemic agents PFIZER INC. (US) 1990-11-22 EP disclosed
US-4324791-A DERIVATIVES OF 3,3-DIPHENYL-2-PYRROLIDINONES A. H. ROBINS COMPANY, INC. (US) 1982-04-13 US disclosed
US-4127579-A HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4120969-A ANALGETIC, ANTIDIARRHEAL ACTIVITY A. H. ROBINS COMPANY, INCORPORATED (US) 1978-10-17 US 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 (1 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-20230035133-A1 [1,2,4]Triazolo[4,3-B]Pyridazines For Use in the Treatment of Proliferative Diseases MKI67, CCNB1, CCNB2 QDPR 953/4885SLC18A3 4860/4885SIGMAR1 2764/4885

“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.