SCHEMBL1912704

SCHEMBL1912704

O=C1c2ccccc2CCC12CCNCC2

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.64
HTR2C P28335 12/20 0.64
HTR2A P28223 11/20 0.64
HTR2B P41595 11/20 0.64
DRD2 P14416 11/20 0.55
PDPK1 O15530 1/20 0.44
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
CES1 P23141 1/20 0.42
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
SRD5A1 P18405 1/20 0.39
CYP2A6 P11509 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL18494326 0.87 SIGMAR1 (0.74) SIGMAR1HTR2CHTR2AHTR2BDRD2
SCHEMBL1912720 0.84 POLB (0.46) SIGMAR1HTR2CHTR2AHTR2BDRD2
SCHEMBL18494688 0.84 SIGMAR1 (0.70) SIGMAR1HTR2CHTR2AHTR2BDRD2
SCHEMBL8778970 0.84 SIGMAR1 (0.70) SIGMAR1HTR2CHTR2AHTR2BDRD2
Hydrochloric Acid SCHEMBL31318803 0.83 SIGMAR1 (0.46) SIGMAR1HTR2CHTR2AHTR2BDRD2
Hydrochloric Acid SCHEMBL3226212 0.83 SIGMAR1 (0.46) SIGMAR1HTR2CHTR2AHTR2BDRD2
SCHEMBL7500484 0.82 SIGMAR1 (0.68) SIGMAR1HTR2CHTR2AHTR2BDRD2
SCHEMBL3497387 0.81 SIGMAR1 (0.54) SIGMAR1HTR2CHTR2AHTR2BDRD2
SCHEMBL7943845 0.80 SIGMAR1 (0.65) SIGMAR1HTR2CHTR2AHTR2BDRD2
SCHEMBL29790999 0.79 SIGMAR1 (0.64) SIGMAR1HTR2CHTR2AHTR2BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 US claimed
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP claimed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 WO claimed
US-9181266-B2 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181266-B2 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181266-B2 2-piperidin-1-yl-acetamide compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-11-10 US disclosed
EP-2731942-B1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
EP-2731942-B1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-20150025070-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025070-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-01-22 US disclosed
US-20150025070-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-01-22 US disclosed
WO-2013012723-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2013-01-24 WO disclosed
WO-2013012723-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2013-01-24 WO disclosed
US-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2012-01-12 US disclosed
US-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 US disclosed
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 WO disclosed
US-5633247-A ANTIARRTHYMIA AGENT MERCK & CO., INC. (US) 1997-05-27 US disclosed
US-5206240-A Antiarrhythmia agents MERCK & CO., INC. (US) 1993-04-27 US disclosed
EP-0431943-A2 Nitrogen-containing spirocycles MERCK & CO. INC. (US) 1991-06-12 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 (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-20120010135-A1 SPIRO DERIVATIVES FOR THE MODULATION OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 SIGMAR1 2897/4885HTR2C 3206/4885HTR2A 2745/4885
US-20150025070-A1 NOVEL 2-PIPERIDIN-1-YL-ACETAMIDE COMPOUNDS FOR USE AS TANKYRASE INHIBITORS WNT1, TNKS1BP1, TNKS SIGMAR1 1983/4885HTR2C 2812/4885HTR2A 2351/4885
US-20040266802-A1 Tricyclic analgesics OPRM1, OPRL1, OPRD1 SIGMAR1 11/4885HTR2C 96/4885HTR2A 281/4885

“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.