SCHEMBL6423927

SCHEMBL6423927

c1cc2c(o1)CNCCC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.41
CD44 P16070 2/20 0.33
MAOB P27338 1/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 3/20 0.33
HTR2A P28223 2/20 0.33
GID4 Q8IVV7 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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 SCHEMBL8435409 0.98 PNMT (0.40) PNMTCD44MAOBHTR2CHTR2B
SCHEMBL13540 0.88
Hydrochloric Acid SCHEMBL8437491 0.86 PNMT (0.43) PNMTCD44MAOBHTR2CHTR2B
SCHEMBL20142997 0.76
SCHEMBL1868771 0.75
Hydrochloric Acid SCHEMBL2720370 0.73 PNMT (0.43) PNMTCD44MAOBHTR2CHTR2B
SCHEMBL3227687 0.73
SCHEMBL72251 0.73
SCHEMBL982394 0.72 HTR2C (0.47) PNMTCD44MAOBHTR2CHTR2B
SCHEMBL9123557 0.72 TSHR (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171094-A1 Pyrrolopyrimidine derivatives TEIJIN, LIMITED (JP) 2005-08-04 US disclosed
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
EP-1477490-A1 PYRROLOPYRIMIDINE DERIVATIVE TEIJIN LIMITED (JP) 2004-11-17 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
US-6407112-B1 2A,3,4,5-TETRAHYDRO-1H-BENZ(CD)INDOL-2-ONE DERIVATIVES; 5-HYDROXYTRYPTAMINE AGONISTS; SLEEP, CIRCADIAN RHYTHYM, BIPOLAR, AND PSYCHOLOGICAL DISORDER TREATMENT MEIJI SEIKA KAISHA, LTD. (JP) 2002-06-18 US disclosed
EP-1081136-A1 OPTICALLY ACTIVE TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2001-03-07 EP disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP disclosed
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO 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-20050171094-A1 Pyrrolopyrimidine derivatives GSK3B, GSK3A, GSKIP PNMT 2002/4885CD44 4504/4885MAOB 3976/4885

“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.