SCHEMBL4376335

SCHEMBL4376335

COc1cccc(CCC(=O)N2CCN(C3CCCCC3)CC2)c1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
KMT2A Q03164 2/20 0.76
TSHR P16473 1/20 0.76
RAB9A P51151 1/20 0.55
SIGMAR1 Q99720 2/20 0.55
KDM4E B2RXH2 4/20 0.53
POLB P06746 1/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 1/20 0.52
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL4378416 0.99 ALDH1A1 (0.73) ALDH1A1KMT2ATSHRRAB9ASIGMAR1
SCHEMBL2835539 0.90 KMT2A (0.60) ALDH1A1KMT2ATSHRSIGMAR1KDM4E
SCHEMBL4384079 0.86 ALDH1A1 (1.00) ALDH1A1KMT2ATSHRRAB9AKDM4E
SCHEMBL4383272 0.85 ALDH1A1 (0.98) ALDH1A1KMT2ATSHRRAB9AKDM4E
SCHEMBL22813680 0.84 SIGMAR1 (0.62) ALDH1A1SIGMAR1KDM4E
SCHEMBL4375187 0.83 KMT2A (0.73) ALDH1A1KMT2ATSHRRAB9AMAPK1
SCHEMBL8326447 0.82 SIGMAR1 (0.66) ALDH1A1KMT2ASIGMAR1KDM4EMAPT
SCHEMBL4377238 0.82 KMT2A (0.71) ALDH1A1KMT2ATSHRRAB9AKDM4E
SCHEMBL14218060 0.80 SIGMAR1 (0.67) ALDH1A1KMT2ASIGMAR1KDM4ETPSAB1
SCHEMBL13636198 0.80 ALDH1A1 (0.56) ALDH1A1KMT2ATSHRKDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 ALDH1A1 1907/4885KMT2A 295/4885TSHR 621/4885

“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.