SCHEMBL44425

SCHEMBL44425

c1ccc2c(c1)CCC21CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.55
SIGMAR1 Q99720 13/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR2C P28335 2/20 0.46
SLC18A3 Q16572 2/20 0.46
DRD2 P14416 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44

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
SCHEMBL30676406 1.00 HTR2A (0.55) HTR2ASIGMAR1ALDH1A1TP53CYP1A2
Hydrochloric Acid SCHEMBL2803727 0.98 HTR2A (0.53) HTR2ASIGMAR1ALDH1A1TP53CYP1A2
Butane SCHEMBL8571253 0.91 SIGMAR1 (0.56) HTR2ASIGMAR1ALDH1A1TP53CYP1A2
SCHEMBL155826 0.89 SIGMAR1 (0.53) HTR2ASIGMAR1TP53CYP1A2CYP3A4
SCHEMBL30841243 0.89 SIGMAR1 (0.53) HTR2ASIGMAR1TP53CYP1A2CYP3A4
SCHEMBL1222048 0.89 HTR2A (0.61) HTR2ASIGMAR1ALDH1A1TP53CYP1A2
Hydrochloric Acid SCHEMBL238199 0.87 SIGMAR1 (0.54) HTR2ASIGMAR1TP53CYP1A2CYP3A4
SCHEMBL7382981 0.87 SIGMAR1 (0.54) HTR2ASIGMAR1TP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL31137663 0.87 HTR2A (0.59) HTR2ASIGMAR1ALDH1A1TP53CYP1A2
SCHEMBL29860963 0.85 SIGMAR1 (0.58) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4320125-A1 PYRIDINYL SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2024-02-14 EP claimed
US-20120316143-A1 Ophthalmic composition SOLL DAVID B (US) 2012-12-13 US claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
EP-4705293-A1 SPIRO-HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF Amgen Inc. (US) 2026-03-11 EP disclosed
WO-2024229317-A1 SPIRO-HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-11-07 WO disclosed
EP-4320125-A1 PYRIDINYL SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2024-02-14 EP disclosed
CN-117396477-A Pyridyl-substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司 2024-01-12 CN disclosed
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-06-22 US disclosed
US-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF TENARX, INC. 2023-06-22 US disclosed
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2023-01-26 US disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
EP-0662481-A1 Spiro piperidines and homologs promote release of growth hormone MERCK & CO. INC. (US) 1995-07-12 EP disclosed
WO-1994019367-A1 SPIRO PIPERIDINES AND HOMOLOGS PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-09-01 WO disclosed
US-5324733-A Selective ligands at sigma recognition sites MERCK SHARPE & DOHME LTD. 1994-06-28 US disclosed
EP-0593511-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1994-04-27 EP disclosed
US-5219860-A Neuroleptic agents MERCK SHARP & DOHME LIMITED (GB) 1993-06-15 US disclosed
WO-1992022554-A1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT H. LUNDBECK A/S (DK) 1992-12-23 WO disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP disclosed
EP-0445974-A2 Spirocyclic antipsychotic agents MERCK SHARP & DOHME LTD. (GB) 1991-09-11 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 (2 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-20230192686-A1 1H-PYRROLO[2,3-B]PYRIDINES AND PREPARATION AND USES THEREOF DYRK1A, DYRK1B, DYRK2 HTR2A 1754/4885SIGMAR1 4301/4885ALDH1A1 3594/4885
US-20230026909-A1 1,2,4-OXADIAZOLE DERIVATIVES AS HISTONE DEACETYLASE 6 INHIBITORS HDAC6, HDAC1, HDAC3 HTR2A 3498/4885SIGMAR1 2357/4885ALDH1A1 248/4885

“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.