SCHEMBL2115134

SCHEMBL2115134

O=C(O)CCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.69
HTR7 P34969 5/20 0.68
HTR1A P08908 1/20 0.68
SIGMAR1 Q99720 1/20 0.64
ALDH1A1 P00352 4/20 0.59
TSHR P16473 1/20 0.59
MC4R P32245 1/20 0.59
CCR3 P51677 1/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL27550580 0.89 KMT2A (0.69) KMT2AHTR7HTR1ASIGMAR1ALDH1A1
SCHEMBL8189169 0.86 KMT2A (0.66) KMT2AHTR7HTR1ASIGMAR1ALDH1A1
SCHEMBL22639905 0.86 SIGMAR1 (0.61) KMT2AHTR7HTR1ASIGMAR1ALDH1A1
SCHEMBL10902220 0.85 ADRA1D (0.62) KMT2AHTR7HTR1ASIGMAR1TSHR
SCHEMBL5373264 0.85 ALDH1A1 (0.67) KMT2AHTR7HTR1AALDH1A1
SCHEMBL4512612 0.85 ALDH1A1 (0.71) KMT2AHTR7HTR1ASIGMAR1ALDH1A1
SCHEMBL18118445 0.85 SCN5A (0.60) KMT2AHTR7HTR1AALDH1A1TSHR
Hydrochloric Acid SCHEMBL3844581 0.83 ALDH1A1 (0.69) KMT2AHTR7HTR1ASIGMAR1ALDH1A1
SCHEMBL12150889 0.83 KMT2A (0.76) KMT2AHTR7HTR1AALDH1A1TSHR
SCHEMBL3040556 0.83 HRH3 (0.71) KMT2AALDH1A1LMNASMN1; SMN2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191028-B1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARM CO LTD (JP) 2004-11-03 EP claimed
EP-1191028-A1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-03-27 EP claimed
EP-2388003-B1 Colchicine derivatives CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-12-29 EP disclosed
EP-3207929-B1 COLCHICINE DERIVATIVES FOR THE TREATMENT OF CANCER CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-05-26 EP disclosed
EP-3207929-A2 COLCHICINE DERIVATIVES California Pacific Medical Center (US) 2017-08-23 EP disclosed
US-9587035-B2 Assay for benzylpiperazine and metabolites RANDOX LABORATORIES LIMITED (GB) 2017-03-07 US disclosed
EP-1617843-B1 COLCHICINE DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2016-12-21 EP disclosed
EP-1643987-B1 PODOPHYLLOTOXIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2016-11-30 EP disclosed
EP-2679241-B1 Assay for benzylpiperazines and metabolites RANDOX LAB LTD (GB) 2016-09-14 EP disclosed
US-8158809-B2 Podophyllotoxin derivatives SUTTER WEST BAY HOSPITALS (US) 2012-04-17 US disclosed
EP-2388003-A2 Colchicine derivatives California Pacific Medical Center (US) 2011-11-23 EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-20030073698-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-04-17 US disclosed
US-20030032624-A1 Nitrogen-based camptothecin derivatives US ARMY, SECRETARY OF THE ARMY 2003-02-13 US disclosed
WO-2002070525-A2 NITROGEN-BASED CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MEDICAL CENTER (US) 2002-09-12 WO disclosed
US-6403604-B1 ANTITUMOR CALIFORNIA PACIFIC MEDICAL CENTER 2002-06-11 US disclosed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 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-20030073698-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 KMT2A 2819/4885HTR7 1517/4885HTR1A 2437/4885
US-20030032624-A1 Nitrogen-based camptothecin derivatives DCK, NEK11, NME1 KMT2A 2819/4885HTR7 1517/4885HTR1A 2437/4885

“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.