SCHEMBL5584664

SCHEMBL5584664

Brc1ccccc1C1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.60
SLC18A3 Q16572 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SLC6A2 P23975 7/20 0.51
SLC6A4 P31645 7/20 0.51
SLC6A3 Q01959 7/20 0.51
HTR1A P08908 6/20 0.51
ADRB2 P07550 1/20 0.49

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 SCHEMBL6075695 0.98 HTR2C (0.61) HTR2CSLC18A3SIGMAR1SLC6A2SLC6A4
SCHEMBL9773283 0.88 HTR2C (0.49) HTR2CSLC18A3SIGMAR1
SCHEMBL27841195 0.88 HTR2C (0.49) HTR2CSLC18A3SIGMAR1
SCHEMBL27821867 0.88 HTR2C (0.49) HTR2CSLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL31278837 0.86 HTR2C (0.49) HTR2C
SCHEMBL29427088 0.84 KDM1A (0.50) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL30493303 0.84 HTR2C (0.72) HTR2CSLC18A3SIGMAR1SLC6A2SLC6A4
SCHEMBL10046437 0.84 KDM1A (0.50) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL27604840 0.80 KDM1A (0.47) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL25604023 0.80 KDM1A (0.47) HTR2CSLC6A2SLC6A4SLC6A3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784655-B1 PROCESS FOR PREPARING 2-(1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-YL)BENZOIC ACID THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-04 EP disclosed
EP-3784655-B1 PROCESS FOR PREPARING 2-(1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-YL)BENZOIC ACID THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-04 EP disclosed
CN-112204007-B Process for preparing 2- (1- (tert-butoxycarbonyl) piperidin-4-yl) benzoic acid 施万生物制药研发IP有限责任公司 2023-06-20 CN disclosed
WO-2021070090-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS AG (CH) 2021-04-15 WO disclosed
CN-109369632-B Water-soluble aggregation-induced emission probe and preparation method and application thereof 华中科技大学 2021-03-30 CN disclosed
EP-3784655-A1 PROCESS FOR PREPARING 2-(1-(TERT-BUTOXYCARBONYL)PIPERIDINE-4-YL)BENZOIC ACID Theravance Biopharma R&D IP, LLC (US) 2021-03-03 EP disclosed
CN-112204007-A Process for the preparation of 2- (1- (tert-butoxycarbonyl) piperidin-4-yl) benzoic acid 施万生物制药研发IP有限责任公司 2021-01-08 CN disclosed
US-10640467-B2 Process for preparing 2-(1-(tert-butoxycarbonyl)piperidine-4-yl)benzoic acid THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-05-05 US disclosed
US-10640467-B2 Process for preparing 2-(1-(tert-butoxycarbonyl)piperidine-4-yl)benzoic acid THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-05-05 US disclosed
CN-109369632-A A kind of water solubility aggregation-induced emission probe and the preparation method and application thereof 华中科技大学 2019-02-22 CN disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP disclosed
US-4077958-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1978-03-07 US disclosed
US-4007191-A ANTIDEPRESSANT E. R. SQUIBB & SONS, INC. (US) 1977-02-08 US disclosed
US-3935227-A ANTIDEPRESSANTS, ANTIANXIETY, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-01-27 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 (3 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885SLC18A3 162/4885SIGMAR1 50/4885
US-10640467-B2 Process for preparing 2-(1-(tert-butoxycarbonyl)piperidine-4-yl)benzoic acid BDNF, GABRE, NPY5R HTR2C 568/4885SLC18A3 607/4885SIGMAR1 685/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885SLC18A3 162/4885SIGMAR1 50/4885

“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.