SCHEMBL6560441

SCHEMBL6560441

Cc1cc(C)c(C)c(N2CCNCC2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.50
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTR3A P46098 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
ADRB2 P07550 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1A P08908 2/20 0.42
CCR4 P51679 1/20 0.42
HTR7 P34969 4/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NCF1 P14598 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 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
SCHEMBL533005 0.80 ADRB1 (0.44) ADRB1ALDH1A1LMNAHTR3AHTR3E
SCHEMBL2366412 0.78 ADRB1 (0.50) ADRB1ALDH1A1LMNAHTR3AHTR3E
SCHEMBL15305246 0.76 ADRB1 (0.44) ADRB1ALDH1A1LMNAHTR3AHTR3E
SCHEMBL31052076 0.76 ADRB1 (0.47) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL28905291 0.75 ADRB1 (0.47) ADRB1ALDH1A1LMNAHTR3AHTR3E
SCHEMBL28511238 0.75 ADRB1 (0.57) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL16307935 0.75 KMT2A (0.34) ALDH1A1LMNA
SCHEMBL2366486 0.74 ADRB1 (0.57) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL336283 0.74 ADRB1 (0.63) ADRB1ALDH1A1HTR3AHTR3EHTR3B
Hydrochloric Acid SCHEMBL6739727 0.72 ADRB1 (0.61) ADRB1ALDH1A1LMNAHTR3AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100354271-C Piperazine derivatives and process for the preparation thereof SAMJIN PHARM CO LTD (KR) 2007-12-12 CN disclosed
EP-1075469-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2004-05-26 EP disclosed
US-6683184-B2 ANTITUMOR AGENTS SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2004-01-27 US disclosed
EP-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 US disclosed
CN-1296477-A Piperazine derivatives and process for the preparation thereof SAMJIN PHARM CO LTD (KR) 2001-05-23 CN disclosed
EP-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 WO disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS ADRB1 767/4885ALDH1A1 58/4885LMNA 3343/4885

“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.