SCHEMBL2567720

SCHEMBL2567720

O=C1C(CCl)OCCN1Cc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.59
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD4 P21917 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL30819028 0.87 TACR1 (0.58) TACR1KMT2AMEN1DDB1CRBN
SCHEMBL5133293 0.81 TACR1 (0.53) TACR1KMT2AMEN1DRD4ALDH1A1
SCHEMBL5132526 0.81 TACR1 (0.53) TACR1KMT2AMEN1DRD4ALDH1A1
SCHEMBL28120391 0.80 TACR1 (0.51) TACR1KMT2AMEN1DDB1CRBN
SCHEMBL15922327 0.80 TACR1 (0.51) TACR1KMT2AMEN1DDB1CRBN
SCHEMBL12208454 0.80 TACR1 (0.51) TACR1KMT2AMEN1DDB1CRBN
SCHEMBL5667214 0.79 TACR1 (0.56) TACR1HPGDALDH1A1
SCHEMBL5968243 0.79 TACR1 (0.56) TACR1HPGDALDH1A1
SCHEMBL1551999 0.79 TACR1 (0.56) TACR1KMT2AMEN1
SCHEMBL1553056 0.79 TACR1 (0.56) TACR1KMT2AMEN1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 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 (2 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-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 TACR1 169/4885KMT2A 1540/4885MEN1 3667/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 TACR1 169/4885KMT2A 1540/4885MEN1 3667/4885

“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.