SCHEMBL772728

SCHEMBL772728

[CH2]C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
USP2 O75604 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
TSHR P16473 2/20 0.65
MAPT P10636 5/20 0.61
LMNA P02545 3/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
AKR1C3 P42330 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPK1 P28482 4/20 0.59
POLB P06746 3/20 0.57
SLC6A7 Q99884 1/20 0.57
HTT P42858 2/20 0.56
HTR1A P08908 1/20 0.56
HTR7 P34969 1/20 0.56
PHGDH O43175 1/20 0.55
MGLL Q99685 1/20 0.55
HCRTR1 O43613 1/20 0.54

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
SCHEMBL631962 0.83 ALDH1A1 (0.69) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL27792690 0.83 AKR1C3 (0.82) ALDH1A1USP2MEN1KMT2ATSHR
Hydrochloric Acid SCHEMBL5492248 0.82 ALDH1A1 (0.67) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL8014611 0.81 ALDH1A1 (0.61) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL1283460 0.81 SMN1; SMN2 (0.55) ALDH1A1TSHRCYP2C9CYP2C19AKR1C3
SCHEMBL27875601 0.80 HTR1A (0.71) ALDH1A1MEN1KMT2AAKR1C3HTT
SCHEMBL9410779 0.80 ALDH1A1 (0.65) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL15244587 0.80 ALDH1A1 (0.65) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL3867043 0.80 HTR1A (0.67) ALDH1A1USP2MEN1KMT2ATSHR
SCHEMBL426469 0.80 ALDH1A1 (0.65) ALDH1A1USP2MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0077720-B1 BIPHENYL ALKYL CARBOXYLATED DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINES PIERRE FABRE S.A. (FR) 1984-07-25 EP claimed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0072932-B1 PIPERAZINONES, THEIR PREPARATION AND USE CASSELLA Aktiengesellschaft (DE) 1990-01-17 EP disclosed
US-4785010-A AGING RESISTANCE OF HUMANS CASSELLA AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0124067-B1 2-(AMINOALKYL)-PYRROLE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1986-12-17 EP disclosed
US-4598079-A MEMORY DISORDERS CASSELLA AKTIENGESELLSCHAFT (DE) 1986-07-01 US disclosed
EP-0124067-A1 2-(Aminoalkyl)-pyrrole derivatives, process for their manufacture and their use CASSELLA Aktiengesellschaft (DE) 1984-11-07 EP disclosed
EP-0072932-A2 Piperazinones, their preparation and use CASSELLA Aktiengesellschaft (DE) 1983-03-02 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ALDH1A1 750/4885USP2 3512/4885MEN1 4753/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 ALDH1A1 351/4885USP2 4191/4885MEN1 4852/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885USP2 3512/4885MEN1 4753/4885

“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.