SCHEMBL7556587

SCHEMBL7556587

O=C(C(Cc1ccccc1)N1CCc2ccccc21)N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
HTT P42858 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
RECQL P46063 1/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 3/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FPR2 P25090 1/20 0.43
CHRM1 P11229 2/20 0.42

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
SCHEMBL7556598 0.80 TSHR (0.69) TSHRHTTNPSR1RECQLMAPT
SCHEMBL7556586 0.77 ALDH1A1 (0.52) TSHRHTTNPSR1RECQLMAPT
SCHEMBL6164614 0.73 HDAC8 (0.64) HDAC8POLB
SCHEMBL7567649 0.73 HDAC8 (0.64) HDAC8POLB
SCHEMBL16748058 0.73 HSD17B10 (0.71) TSHRHPGDGAAKMT2AHSD17B10
SCHEMBL7566120 0.73 HDAC8 (0.64) HDAC8POLB
Hydrochloric Acid SCHEMBL8934375 0.72 HSD17B10 (0.69) TSHRHPGDGAAKMT2APOLB
SCHEMBL3525063 0.72 DRD4 (0.49) TSHRHTTNPSR1RECQLMAPT
SCHEMBL16748110 0.71 CHRM1 (0.49) TSHRHPGDGAAALDH1A1KMT2A
SCHEMBL29165130 0.71 SIGMAR1 (0.47) TSHRHTTHPGDGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020128274-A1 Benzylpiperazinyl-indolinylethanones NEUROGEN CORPORATION. 2002-09-12 US disclosed
US-20020128274-A1 Benzylpiperazinyl-indolinylethanones NEUROGEN CORPORATION. 2002-09-12 US disclosed
US-20020128274-A1 Benzylpiperazinyl-indolinylethanones NEUROGEN CORPORATION. 2002-09-12 US disclosed
US-6355644-B1 NERVOUS SYSTEM DISORDERS AND TREATMENT OF SCHIZOPHRENIA AND BIPOLAR DISORDER NEUROGEN CORPORATION 2002-03-12 US disclosed
US-6355644-B1 NERVOUS SYSTEM DISORDERS AND TREATMENT OF SCHIZOPHRENIA AND BIPOLAR DISORDER NEUROGEN CORPORATION 2002-03-12 US disclosed
US-6355644-B1 NERVOUS SYSTEM DISORDERS AND TREATMENT OF SCHIZOPHRENIA AND BIPOLAR DISORDER NEUROGEN CORPORATION 2002-03-12 US disclosed
WO-2000076967-A1 BENZYLPIPERAZINYL-INDOLINYLETHANONES NEUROGEN CORPORATION (US) 2000-12-21 WO disclosed
WO-2000076967-A1 BENZYLPIPERAZINYL-INDOLINYLETHANONES NEUROGEN CORPORATION (US) 2000-12-21 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-20020128274-A1 Benzylpiperazinyl-indolinylethanones GABRP, GABBR1, GABARAP TSHR 1775/4885HTT 237/4885NPSR1 173/4885

“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.